5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid

C15H14N2O4 — CID 851811

IUPAC5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
SMILESCOc1ccccc1NC(=O)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16)8-11(10)15(19)20/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyASERVLVOGGJHKL-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid

5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid (PubChem CID 851811) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
PubChem CID851811
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
SMILESCOc1ccccc1NC(=O)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16)8-11(10)15(19)20/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyASERVLVOGGJHKL-UHFFFAOYSA-N
XLogP2.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate
CID 7312565
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid (CID 851811) is 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid is COc1ccccc1NC(=O)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid?
The InChIKey is ASERVLVOGGJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16)8-11(10)15(19)20/h2-8H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid?
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 851811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).