Methyl n-formylanthranilate
PubChem CID: 162458
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Methyl N-formylanthranilate, 41270-80-8, methyl 2-formamidobenzoate, Methyl 2-(formylamino)benzoate, Benzoic acid, 2-(formylamino)-, methyl ester, Methyl 2-formylaminobenzoate, UNII-XHM71YC88Y, XHM71YC88Y, C9H9NO3, EINECS 255-287-7, N-formylanthranilic acid methyl ester, DTXSID4068294, FEMA NO. 4171, METHYL O-FORMAMIDOBENZOATE, METHYL N-FORMYLANTHRANILATE [FHFI], METHYL FORMYLAMINOBENZOATE, methyl formyl anthranilate, 2-Formylamino-benzoic acidmethylester, methyl2-formamidobenzoate, methyl 2-ormamidobenzoate, Methyl-N-formyl-anthranilat, SCHEMBL2442267, DTXCID1039890, CHEBI:165204, MFCD08457073, STL301875, AKOS005199060, 2-formylamino-benzoic acid methyl ester, AS-58992, CS-0327406, NS00012892, A11128, AC-907/34106051, Q27293842 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Anthranillic acid derivatives |
| Deep Smiles | O=CNcccccc6C=O)OC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-formamidobenzoate |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.7 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H9NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HRNPZFOYXWWMFL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | Methyl N-formylanthranilic acid, Benzoic acid, 2-(formylamino)-, methyl ester, Methyl 2-(formylamino)benzoate, Methyl 2-formylaminobenzoate, N-[2-(Methoxycarbonyl)phenyl]carboximidate, methyl n-formylanthranilate |
| Esol Class | Soluble |
| Functional Groups | cC(=O)OC, cNC=O |
| Compound Name | Methyl n-formylanthranilate |
| Kingdom | Organic compounds |
| Exact Mass | 179.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 179.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11) |
| Smiles | COC(=O)C1=CC=CC=C1NC=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acylaminobenzoic acid and derivatives |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697957 - 2. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<9::aid-ffj606>3.0.co;2-p