4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid

C15H9ClN2O3 — CID 122605265

IUPAC4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H9ClN2O3/c16-10-3-6-12(15(20)21)13(7-10)14(19)18-11-4-1-9(8-17)2-5-11/h1-7H,(H,18,19)(H,20,21)
InChIKeyHNHMGTPRVGZYNE-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.16
Rot. Bonds3

About 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid

4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid (PubChem CID 122605265) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
PubChem CID122605265
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H9ClN2O3/c16-10-3-6-12(15(20)21)13(7-10)14(19)18-11-4-1-9(8-17)2-5-11/h1-7H,(H,18,19)(H,20,21)
InChIKeyHNHMGTPRVGZYNE-UHFFFAOYSA-N
XLogP3.16
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
CID 62166224
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid
CID 10992191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid (CID 122605265) is 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid is N#Cc1ccc(NC(=O)c2cc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid?
The InChIKey is HNHMGTPRVGZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-10-3-6-12(15(20)21)13(7-10)14(19)18-11-4-1-9(8-17)2-5-11/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid?
4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid has a molecular weight of 300.70 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 122605265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).