5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate

C15H13N2O4- — CID 7312565

IUPAC5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate
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)/p-1
InChIKeyASERVLVOGGJHKL-UHFFFAOYSA-M
MW285.28 g/mol
LogP0.89
Rot. Bonds4

About 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate

5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate (PubChem CID 7312565) has the molecular formula C15H13N2O4- and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate
PubChem CID7312565
Molecular FormulaC15H13N2O4-
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate
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)/p-1
InChIKeyASERVLVOGGJHKL-UHFFFAOYSA-M
XLogP0.89
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 851811
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
CID 7232593
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
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate?
The IUPAC name of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate (CID 7312565) is 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate is COc1ccccc1NC(=O)c1ccc(N)cc1C(=O)[O-].
What is the InChIKey of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate?
The InChIKey is ASERVLVOGGJHKL-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate?
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate has a molecular weight of 285.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 7312565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).