2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide

C16H19ClN2O — CID 2807201

IUPAC2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
SMILESN#CCCN(C(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H19ClN2O/c17-15-10-5-4-9-14(15)16(20)19(12-6-11-18)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,12H2
InChIKeyYZCAFFLUOIZJTF-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.03
Rot. Bonds4

About 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide

2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide (PubChem CID 2807201) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
PubChem CID2807201
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
SMILESN#CCCN(C(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H19ClN2O/c17-15-10-5-4-9-14(15)16(20)19(12-6-11-18)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,12H2
InChIKeyYZCAFFLUOIZJTF-UHFFFAOYSA-N
XLogP4.03
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
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CID 95323356
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
N-(2-cyanoethyl)-N-cyclopropyl-2-iodo-3-methylbenzamide
CID 113239856
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CID 113239852
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
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CID 54790334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide (CID 2807201) is 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide is N#CCCN(C(=O)c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide?
The InChIKey is YZCAFFLUOIZJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-15-10-5-4-9-14(15)16(20)19(12-6-11-18)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,12H2.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide?
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide has a molecular weight of 290.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide is sourced from PubChem (CID 2807201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).