3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid

C15H12N2O5 — CID 2866795

IUPAC3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O5/c1-9-3-2-4-12(15(19)20)13(9)16-14(18)10-5-7-11(8-6-10)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)
InChIKeyDTYXDNUZHAMWQV-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.85
Rot. Bonds4

About 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid

3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid (PubChem CID 2866795) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
PubChem CID2866795
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O5/c1-9-3-2-4-12(15(19)20)13(9)16-14(18)10-5-7-11(8-6-10)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)
InChIKeyDTYXDNUZHAMWQV-UHFFFAOYSA-N
XLogP2.85
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitrobenzamide
CID 102468027
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43248205
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 43358342
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 22780289
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid (CID 2866795) is 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid is Cc1cccc(C(=O)O)c1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid?
The InChIKey is DTYXDNUZHAMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-9-3-2-4-12(15(19)20)13(9)16-14(18)10-5-7-11(8-6-10)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid?
3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 2866795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).