4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide

C20H19Cl2NO2 — CID 2354551

IUPAC4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C20H19Cl2NO2/c1-23(19(25)14-9-11-15(21)12-10-14)20(13-5-4-8-18(20)24)16-6-2-3-7-17(16)22/h2-3,6-7,9-12H,4-5,8,13H2,1H3/t20-/m0/s1
InChIKeyWBRNEIWXKCXAEB-FQEVSTJZSA-N
MW376.28 g/mol
LogP5.10
Rot. Bonds3

About 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide

4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide (PubChem CID 2354551) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
PubChem CID2354551
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C20H19Cl2NO2/c1-23(19(25)14-9-11-15(21)12-10-14)20(13-5-4-8-18(20)24)16-6-2-3-7-17(16)22/h2-3,6-7,9-12H,4-5,8,13H2,1H3/t20-/m0/s1
InChIKeyWBRNEIWXKCXAEB-FQEVSTJZSA-N
XLogP5.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide (CID 2354551) is 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)[C@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide?
The InChIKey is WBRNEIWXKCXAEB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c1-23(19(25)14-9-11-15(21)12-10-14)20(13-5-4-8-18(20)24)16-6-2-3-7-17(16)22/h2-3,6-7,9-12H,4-5,8,13H2,1H3/t20-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide?
4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide has a molecular weight of 376.28 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 2354551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).