2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid

C15H13FN2O3 — CID 71835143

IUPAC2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
SMILESO=C(CNc1ccccc1C(=O)O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c16-10-5-7-11(8-6-10)18-14(19)9-17-13-4-2-1-3-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChIKeyINGFZNGGNPXHRH-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.57
Rot. Bonds5

About 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid

2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid (PubChem CID 71835143) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
PubChem CID71835143
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
SMILESO=C(CNc1ccccc1C(=O)O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c16-10-5-7-11(8-6-10)18-14(19)9-17-13-4-2-1-3-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChIKeyINGFZNGGNPXHRH-UHFFFAOYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
CID 10850874
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid (CID 71835143) is 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid is O=C(CNc1ccccc1C(=O)O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid?
The InChIKey is INGFZNGGNPXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-5-7-11(8-6-10)18-14(19)9-17-13-4-2-1-3-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid?
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid is sourced from PubChem (CID 71835143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).