2-(4-methoxy-2-nitroanilino)benzoic acid

C14H12N2O5 — CID 614334

IUPAC2-(4-methoxy-2-nitroanilino)benzoic acid
SMILESCOc1ccc(Nc2ccccc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-21-9-6-7-12(13(8-9)16(19)20)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyCTYSRBRZYWDOJY-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.05
Rot. Bonds5

About 2-(4-methoxy-2-nitroanilino)benzoic acid

2-(4-methoxy-2-nitroanilino)benzoic acid (PubChem CID 614334) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitroanilino)benzoic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-nitroanilino)benzoic acid
PubChem CID614334
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-(4-methoxy-2-nitroanilino)benzoic acid
SMILESCOc1ccc(Nc2ccccc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-21-9-6-7-12(13(8-9)16(19)20)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyCTYSRBRZYWDOJY-UHFFFAOYSA-N
XLogP3.05
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Anthranilic acid, N-(3-methoxyphenyl)-
CID 119702
2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
4-[(2-Methoxyphenyl)amino]-3-nitrobenzoic acid
CID 7067128
N-(4-methoxyphenyl)-2-nitrobenzamide
CID 789287
3-Amino-4-[(3-methoxyphenyl)amino]benzoic acid
CID 5155455
4-[(2-Methoxy-5-methylphenyl)amino]-3-nitrobenzoic acid
CID 15998262
4-Methoxy-2-(4-methoxyanilino)benzoic acid
CID 54159801
4-Methoxy-2-(3-methoxyanilino)benzoic acid
CID 54436150
4-[(3-Methoxyphenyl)amino]-3-nitrobenzoic acid
CID 299104
N-(3-methoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889647
N-(3,4-dimethoxyphenyl)-2-nitrobenzamide
CID 2062236

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitroanilino)benzoic acid?
The IUPAC name of 2-(4-methoxy-2-nitroanilino)benzoic acid (CID 614334) is 2-(4-methoxy-2-nitroanilino)benzoic acid.
What is the SMILES notation for 2-(4-methoxy-2-nitroanilino)benzoic acid?
The canonical SMILES for 2-(4-methoxy-2-nitroanilino)benzoic acid is COc1ccc(Nc2ccccc2C(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitroanilino)benzoic acid?
The InChIKey is CTYSRBRZYWDOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-21-9-6-7-12(13(8-9)16(19)20)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18).
What are the key properties of 2-(4-methoxy-2-nitroanilino)benzoic acid?
2-(4-methoxy-2-nitroanilino)benzoic acid has a molecular weight of 288.26 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitroanilino)benzoic acid is sourced from PubChem (CID 614334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).