2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide

C14H9ClN2O2 — CID 53220170

IUPAC2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide
SMILESN#Cc1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1O
InChIInChI=1S/C14H9ClN2O2/c15-12-4-3-8(5-11(12)14(17)19)9-1-2-10(7-16)13(18)6-9/h1-6,18H,(H2,17,19)
InChIKeyLEHQUNMEUZLBRQ-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide

2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide (PubChem CID 53220170) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide
PubChem CID53220170
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide
SMILESN#Cc1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1O
InChIInChI=1S/C14H9ClN2O2/c15-12-4-3-8(5-11(12)14(17)19)9-1-2-10(7-16)13(18)6-9/h1-6,18H,(H2,17,19)
InChIKeyLEHQUNMEUZLBRQ-UHFFFAOYSA-N
XLogP2.68
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
CID 53220181
5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid
CID 53220200
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-(4-cyanophenyl)-2-hydroxybenzonitrile
CID 53219846
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide
CID 53221867
2-chloro-5-hydroxybenzamide
CID 57422942
4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile
CID 142442040
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile
CID 53220260
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide (CID 53220170) is 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide is N#Cc1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1O.
What is the InChIKey of 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide?
The InChIKey is LEHQUNMEUZLBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-12-4-3-8(5-11(12)14(17)19)9-1-2-10(7-16)13(18)6-9/h1-6,18H,(H2,17,19).
What are the key properties of 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide?
2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide has a molecular weight of 272.69 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide is sourced from PubChem (CID 53220170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).