N-benzyl-4-chloro-N-cyclohexylbenzamide

C20H22ClNO — CID 24752728

IUPACN-benzyl-4-chloro-N-cyclohexylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
InChIKeyXDFKWGIBQMHSOH-UHFFFAOYSA-N
MW327.86 g/mol
LogP5.32
Rot. Bonds4

About N-benzyl-4-chloro-N-cyclohexylbenzamide

N-benzyl-4-chloro-N-cyclohexylbenzamide (PubChem CID 24752728) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-cyclohexylbenzamide
PubChem CID24752728
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC NameN-benzyl-4-chloro-N-cyclohexylbenzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
InChIKeyXDFKWGIBQMHSOH-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.86
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-cyclohexylbenzamide?
The IUPAC name of N-benzyl-4-chloro-N-cyclohexylbenzamide (CID 24752728) is N-benzyl-4-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-cyclohexylbenzamide?
The canonical SMILES for N-benzyl-4-chloro-N-cyclohexylbenzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-4-chloro-N-cyclohexylbenzamide?
The InChIKey is XDFKWGIBQMHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2.
What are the key properties of N-benzyl-4-chloro-N-cyclohexylbenzamide?
N-benzyl-4-chloro-N-cyclohexylbenzamide has a molecular weight of 327.86 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 24752728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).