2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide

C17H15ClN2O2 — CID 139676098

IUPAC2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)(C#N)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-17(11-19,12-7-9-13(22-2)10-8-12)20-16(21)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,20,21)
InChIKeyAVVLOYRRCYSRJV-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide

2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 139676098) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID139676098
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)(C#N)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-17(11-19,12-7-9-13(22-2)10-8-12)20-16(21)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,20,21)
InChIKeyAVVLOYRRCYSRJV-UHFFFAOYSA-N
XLogP3.52
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 141319599
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide
CID 110187726
methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate
CID 54303079
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-chloro-N-[(1S)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381280
2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381279
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide
CID 23793096
2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
CID 144603664
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide (CID 139676098) is 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)(C#N)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is AVVLOYRRCYSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-17(11-19,12-7-9-13(22-2)10-8-12)20-16(21)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide?
2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 314.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 139676098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).