4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide

C15H17ClN2O — CID 94699877

IUPAC4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
SMILESN#CCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H17ClN2O/c16-13-8-6-12(7-9-13)15(19)18(11-10-17)14-4-2-1-3-5-14/h6-9,14H,1-5,11H2
InChIKeyUECQBOJKHYPEQJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.64
Rot. Bonds3

About 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide

4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide (PubChem CID 94699877) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
PubChem CID94699877
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
SMILESN#CCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H17ClN2O/c16-13-8-6-12(7-9-13)15(19)18(11-10-17)14-4-2-1-3-5-14/h6-9,14H,1-5,11H2
InChIKeyUECQBOJKHYPEQJ-UHFFFAOYSA-N
XLogP3.64
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

U-47700
CID 71719125
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
Bibx-79
CID 501396
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
4-Chloro-N-phenethylbenzamide
CID 306479
N-Benzyl-2-chloro-benzamide
CID 347073
4-Chloro-N,N-dimethylbenzamide
CID 84180
(4-Chlorophenyl)(1,4-thiazinan-4-yl)methanone
CID 587190
4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide
CID 403373
Benzamide derivative 11
CID 41306362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide?
The IUPAC name of 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide (CID 94699877) is 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide.
What is the SMILES notation for 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide?
The canonical SMILES for 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide is N#CCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide?
The InChIKey is UECQBOJKHYPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-8-6-12(7-9-13)15(19)18(11-10-17)14-4-2-1-3-5-14/h6-9,14H,1-5,11H2.
What are the key properties of 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide?
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide has a molecular weight of 276.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide is sourced from PubChem (CID 94699877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).