4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid

C15H13FN2O3 — CID 63116313

IUPAC4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2O3/c16-10-3-1-9(2-4-10)7-14(19)18-13-8-11(17)5-6-12(13)15(20)21/h1-6,8H,7,17H2,(H,18,19)(H,20,21)
InChIKeyWPIKJCVGZMLFMQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.29
Rot. Bonds4

About 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid

4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid (PubChem CID 63116313) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
PubChem CID63116313
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2O3/c16-10-3-1-9(2-4-10)7-14(19)18-13-8-11(17)5-6-12(13)15(20)21/h1-6,8H,7,17H2,(H,18,19)(H,20,21)
InChIKeyWPIKJCVGZMLFMQ-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934222
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
4-amino-2-(3,3-dimethylbutanoylamino)benzoic acid
CID 63116322
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
N-(5-amino-2-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 43144626
4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139491
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099
4-amino-2-(3-methylpentanoylamino)benzoic acid
CID 114873524

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid (CID 63116313) is 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
The InChIKey is WPIKJCVGZMLFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-3-1-9(2-4-10)7-14(19)18-13-8-11(17)5-6-12(13)15(20)21/h1-6,8H,7,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid?
4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63116313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).