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

C15H12N2O5 — CID 28671223

IUPAC2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
SMILESCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)O
InChIInChI=1S/C15H12N2O5/c1-9-12(15(19)20)3-2-4-13(9)16-14(18)10-5-7-11(8-6-10)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)
InChIKeySQWOSNNVYFHIRQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid (PubChem CID 28671223) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
PubChem CID28671223
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
SMILESCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)O
InChIInChI=1S/C15H12N2O5/c1-9-12(15(19)20)3-2-4-13(9)16-14(18)10-5-7-11(8-6-10)17(21)22/h2-8H,1H3,(H,16,18)(H,19,20)
InChIKeySQWOSNNVYFHIRQ-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

3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 2866795
2-methyl-3-(4-nitroanilino)benzoic acid
CID 4763865
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659
N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
CID 158380804
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
methyl 2-hydroxy-3-[(4-nitrobenzoyl)amino]benzoate
CID 71425955
2-methyl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid
CID 28674273
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid
CID 4507533
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid
CID 28674359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid (CID 28671223) is 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid is Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid?
The InChIKey is SQWOSNNVYFHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-9-12(15(19)20)3-2-4-13(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 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid?
2-methyl-3-[(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 2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 28671223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).