5-chloro-2-(2-cyanoanilino)benzoic acid

C14H9ClN2O2 — CID 63538465

IUPAC5-chloro-2-(2-cyanoanilino)benzoic acid
SMILESN#Cc1ccccc1Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H9ClN2O2/c15-10-5-6-13(11(7-10)14(18)19)17-12-4-2-1-3-9(12)8-16/h1-7,17H,(H,18,19)
InChIKeyQLZLWEOGUTZHBA-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.65
Rot. Bonds3

About 5-chloro-2-(2-cyanoanilino)benzoic acid

5-chloro-2-(2-cyanoanilino)benzoic acid (PubChem CID 63538465) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 5-chloro-2-(2-cyanoanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-cyanoanilino)benzoic acid
PubChem CID63538465
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name5-chloro-2-(2-cyanoanilino)benzoic acid
SMILESN#Cc1ccccc1Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C14H9ClN2O2/c15-10-5-6-13(11(7-10)14(18)19)17-12-4-2-1-3-9(12)8-16/h1-7,17H,(H,18,19)
InChIKeyQLZLWEOGUTZHBA-UHFFFAOYSA-N
XLogP3.65
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-cyanoanilino)-5-chlorobenzoic acid
CID 82704123
5-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107799308
2-(2-bromoanilino)-5-chlorobenzoic acid
CID 55225473
2-(2-bromo-4-chloroanilino)benzonitrile
CID 81271318
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
2-(2-bromo-4-chloroanilino)benzoic acid
CID 81271359
2-[(5-chloro-2-cyanoanilino)methyl]benzoic acid
CID 103252963
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyanoanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-cyanoanilino)benzoic acid (CID 63538465) is 5-chloro-2-(2-cyanoanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-cyanoanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-cyanoanilino)benzoic acid is N#Cc1ccccc1Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-cyanoanilino)benzoic acid?
The InChIKey is QLZLWEOGUTZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-5-6-13(11(7-10)14(18)19)17-12-4-2-1-3-9(12)8-16/h1-7,17H,(H,18,19).
What are the key properties of 5-chloro-2-(2-cyanoanilino)benzoic acid?
5-chloro-2-(2-cyanoanilino)benzoic acid has a molecular weight of 272.69 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyanoanilino)benzoic acid is sourced from PubChem (CID 63538465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).