4-(2-carbamoylphenyl)-2-fluorobenzoic acid

C14H10FNO3 — CID 150992694

IUPAC4-(2-carbamoylphenyl)-2-fluorobenzoic acid
SMILESNC(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H10FNO3/c15-12-7-8(5-6-11(12)14(18)19)9-3-1-2-4-10(9)13(16)17/h1-7H,(H2,16,17)(H,18,19)
InChIKeyLSLIQKJWNMNSEY-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.29
Rot. Bonds3

About 4-(2-carbamoylphenyl)-2-fluorobenzoic acid

4-(2-carbamoylphenyl)-2-fluorobenzoic acid (PubChem CID 150992694) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-(2-carbamoylphenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2-carbamoylphenyl)-2-fluorobenzoic acid
PubChem CID150992694
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name4-(2-carbamoylphenyl)-2-fluorobenzoic acid
SMILESNC(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H10FNO3/c15-12-7-8(5-6-11(12)14(18)19)9-3-1-2-4-10(9)13(16)17/h1-7H,(H2,16,17)(H,18,19)
InChIKeyLSLIQKJWNMNSEY-UHFFFAOYSA-N
XLogP2.29
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-2-fluorobenzoic acid
CID 168592803
4-(2-fluorophenyl)phthalic acid
CID 71119653
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
2-(4-bromophenyl)benzamide
CID 15982087
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
benzoic acid;2-phenylbenzamide
CID 70205361
4-(2-acetylphenyl)-2-fluorobenzoate
CID 86307867
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
CID 114746359
4-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)phenyl]-2-fluorobenzoic acid
CID 169400274

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylphenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2-carbamoylphenyl)-2-fluorobenzoic acid (CID 150992694) is 4-(2-carbamoylphenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2-carbamoylphenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2-carbamoylphenyl)-2-fluorobenzoic acid is NC(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(2-carbamoylphenyl)-2-fluorobenzoic acid?
The InChIKey is LSLIQKJWNMNSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-12-7-8(5-6-11(12)14(18)19)9-3-1-2-4-10(9)13(16)17/h1-7H,(H2,16,17)(H,18,19).
What are the key properties of 4-(2-carbamoylphenyl)-2-fluorobenzoic acid?
4-(2-carbamoylphenyl)-2-fluorobenzoic acid has a molecular weight of 259.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylphenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 150992694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).