4-[(3-formylbenzoyl)amino]benzoic acid

C15H11NO4 — CID 90105755

IUPAC4-[(3-formylbenzoyl)amino]benzoic acid
SMILESO=Cc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H11NO4/c17-9-10-2-1-3-12(8-10)14(18)16-13-6-4-11(5-7-13)15(19)20/h1-9H,(H,16,18)(H,19,20)
InChIKeyHCHYSPHSOADZQL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds4

About 4-[(3-formylbenzoyl)amino]benzoic acid

4-[(3-formylbenzoyl)amino]benzoic acid (PubChem CID 90105755) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(3-formylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-formylbenzoyl)amino]benzoic acid
PubChem CID90105755
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name4-[(3-formylbenzoyl)amino]benzoic acid
SMILESO=Cc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H11NO4/c17-9-10-2-1-3-12(8-10)14(18)16-13-6-4-11(5-7-13)15(19)20/h1-9H,(H,16,18)(H,19,20)
InChIKeyHCHYSPHSOADZQL-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-formylphenyl)carbamoyl]benzoic acid;methanol
CID 143557011
3-formylbenzoic acid;methanol
CID 142242456
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
CID 90105435
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
4-[[3-(cyanomethyl)benzoyl]amino]benzoic acid
CID 84589175
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide
CID 145184822
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415

Frequently Asked Questions

What is the IUPAC name of 4-[(3-formylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(3-formylbenzoyl)amino]benzoic acid (CID 90105755) is 4-[(3-formylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-formylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-formylbenzoyl)amino]benzoic acid is O=Cc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-formylbenzoyl)amino]benzoic acid?
The InChIKey is HCHYSPHSOADZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-9-10-2-1-3-12(8-10)14(18)16-13-6-4-11(5-7-13)15(19)20/h1-9H,(H,16,18)(H,19,20).
What are the key properties of 4-[(3-formylbenzoyl)amino]benzoic acid?
4-[(3-formylbenzoyl)amino]benzoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-formylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 90105755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).