4-(2-carbamoyl-3-fluoroanilino)benzoic acid

C14H11FN2O3 — CID 79513280

IUPAC4-(2-carbamoyl-3-fluoroanilino)benzoic acid
SMILESNC(=O)c1c(F)cccc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H11FN2O3/c15-10-2-1-3-11(12(10)13(16)18)17-9-6-4-8(5-7-9)14(19)20/h1-7,17H,(H2,16,18)(H,19,20)
InChIKeyPSXYOLPNPKCJRU-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.37
Rot. Bonds4

About 4-(2-carbamoyl-3-fluoroanilino)benzoic acid

4-(2-carbamoyl-3-fluoroanilino)benzoic acid (PubChem CID 79513280) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-(2-carbamoyl-3-fluoroanilino)benzoic acid.

Molecular Properties

Compound Name4-(2-carbamoyl-3-fluoroanilino)benzoic acid
PubChem CID79513280
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-(2-carbamoyl-3-fluoroanilino)benzoic acid
SMILESNC(=O)c1c(F)cccc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H11FN2O3/c15-10-2-1-3-11(12(10)13(16)18)17-9-6-4-8(5-7-9)14(19)20/h1-7,17H,(H2,16,18)(H,19,20)
InChIKeyPSXYOLPNPKCJRU-UHFFFAOYSA-N
XLogP2.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-difluoroanilino)benzoic acid
CID 62230863
4-(2-fluoroanilino)benzoic acid
CID 62231206
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
4-[[3-carbamoyl-6-(2-chloro-6-fluorophenyl)pyridazin-4-yl]amino]benzoic acid
CID 151988411
CID 161042703
CID 161042703
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
3-(4-fluoroanilino)phthalic acid
CID 150630608
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716
methyl 4-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476605

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-3-fluoroanilino)benzoic acid?
The IUPAC name of 4-(2-carbamoyl-3-fluoroanilino)benzoic acid (CID 79513280) is 4-(2-carbamoyl-3-fluoroanilino)benzoic acid.
What is the SMILES notation for 4-(2-carbamoyl-3-fluoroanilino)benzoic acid?
The canonical SMILES for 4-(2-carbamoyl-3-fluoroanilino)benzoic acid is NC(=O)c1c(F)cccc1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-carbamoyl-3-fluoroanilino)benzoic acid?
The InChIKey is PSXYOLPNPKCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-10-2-1-3-11(12(10)13(16)18)17-9-6-4-8(5-7-9)14(19)20/h1-7,17H,(H2,16,18)(H,19,20).
What are the key properties of 4-(2-carbamoyl-3-fluoroanilino)benzoic acid?
4-(2-carbamoyl-3-fluoroanilino)benzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyl-3-fluoroanilino)benzoic acid is sourced from PubChem (CID 79513280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).