N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide

C15H11ClN2O3 — CID 79737452

IUPACN-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1O
InChIInChI=1S/C15H11ClN2O3/c1-21-14-5-3-9(6-13(14)19)15(20)18-12-7-11(16)4-2-10(12)8-17/h2-7,19H,1H3,(H,18,20)
InChIKeyJHRKEIGQMZVUHY-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.18
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide

N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79737452) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79737452
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC NameN-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1O
InChIInChI=1S/C15H11ClN2O3/c1-21-14-5-3-9(6-13(14)19)15(20)18-12-7-11(16)4-2-10(12)8-17/h2-7,19H,1H3,(H,18,20)
InChIKeyJHRKEIGQMZVUHY-UHFFFAOYSA-N
XLogP3.18
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
CID 87029453
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(2,5-dichloro-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 104727379
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136464
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide
CID 81122801
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109177830

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide (CID 79737452) is N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1O.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is JHRKEIGQMZVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-14-5-3-9(6-13(14)19)15(20)18-12-7-11(16)4-2-10(12)8-17/h2-7,19H,1H3,(H,18,20).
What are the key properties of N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide?
N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 302.72 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79737452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).