2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid

C15H9FN2O3 — CID 43442938

IUPAC2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
SMILESN#Cc1ccc(C(=O)Nc2cccc(F)c2C(=O)O)cc1
InChIInChI=1S/C15H9FN2O3/c16-11-2-1-3-12(13(11)15(20)21)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyUXROIIPSQCSGDT-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.65
Rot. Bonds3

About 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid

2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid (PubChem CID 43442938) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
PubChem CID43442938
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
SMILESN#Cc1ccc(C(=O)Nc2cccc(F)c2C(=O)O)cc1
InChIInChI=1S/C15H9FN2O3/c16-11-2-1-3-12(13(11)15(20)21)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyUXROIIPSQCSGDT-UHFFFAOYSA-N
XLogP2.65
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
CID 63723423
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397
2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 43442892
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid (CID 43442938) is 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid is N#Cc1ccc(C(=O)Nc2cccc(F)c2C(=O)O)cc1.
What is the InChIKey of 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid?
The InChIKey is UXROIIPSQCSGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-11-2-1-3-12(13(11)15(20)21)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid?
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid has a molecular weight of 284.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 43442938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).