N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide

C16H13ClN2O — CID 31251030

IUPACN-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H13ClN2O/c17-15-6-2-3-12(10-15)7-8-19-16(20)14-5-1-4-13(9-14)11-18/h1-6,9-10H,7-8H2,(H,19,20)
InChIKeyULBDEERZHJSYKE-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide

N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide (PubChem CID 31251030) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
PubChem CID31251030
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H13ClN2O/c17-15-6-2-3-12(10-15)7-8-19-16(20)14-5-1-4-13(9-14)11-18/h1-6,9-10H,7-8H2,(H,19,20)
InChIKeyULBDEERZHJSYKE-UHFFFAOYSA-N
XLogP3.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3-cyanobenzamide
CID 110787591
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
CID 110787410
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109161981
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide (CID 31251030) is N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide?
The InChIKey is ULBDEERZHJSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-15-6-2-3-12(10-15)7-8-19-16(20)14-5-1-4-13(9-14)11-18/h1-6,9-10H,7-8H2,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide?
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide has a molecular weight of 284.75 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide is sourced from PubChem (CID 31251030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).