4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide

C15H11ClN2O2 — CID 134868595

IUPAC4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
SMILESCOc1ccc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-13-7-4-11(9-17)14(8-13)18-15(19)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,18,19)
InChIKeyBAEHHYGJCGNMSP-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide

4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide (PubChem CID 134868595) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
PubChem CID134868595
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
SMILESCOc1ccc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-13-7-4-11(9-17)14(8-13)18-15(19)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,18,19)
InChIKeyBAEHHYGJCGNMSP-UHFFFAOYSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79737452
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide
CID 81122801
4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
CID 154101050
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
1-cyano-N-(2-cyano-5-methoxyphenyl)methanethioamide
CID 86278747
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 1045731
N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
CID 104880346
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide (CID 134868595) is 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide is COc1ccc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide?
The InChIKey is BAEHHYGJCGNMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-13-7-4-11(9-17)14(8-13)18-15(19)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide?
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide has a molecular weight of 286.72 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide is sourced from PubChem (CID 134868595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).