4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide

C20H22ClNO — CID 19381387

IUPAC4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO/c1-22(20(23)17-7-11-18(21)12-8-17)19-13-9-16(10-14-19)15-5-3-2-4-6-15/h2-8,11-12,16,19H,9-10,13-14H2,1H3
InChIKeyCCJUHVLKIXOWMW-UHFFFAOYSA-N
MW327.86 g/mol
LogP5.14
Rot. Bonds3

About 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide

4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide (PubChem CID 19381387) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
PubChem CID19381387
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H22ClNO/c1-22(20(23)17-7-11-18(21)12-8-17)19-13-9-16(10-14-19)15-5-3-2-4-6-15/h2-8,11-12,16,19H,9-10,13-14H2,1H3
InChIKeyCCJUHVLKIXOWMW-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.86
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide (CID 19381387) is 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide is CN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide?
The InChIKey is CCJUHVLKIXOWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c1-22(20(23)17-7-11-18(21)12-8-17)19-13-9-16(10-14-19)15-5-3-2-4-6-15/h2-8,11-12,16,19H,9-10,13-14H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide?
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide has a molecular weight of 327.86 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide is sourced from PubChem (CID 19381387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).