N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide

C22H26ClNO3 — CID 121324026

IUPACN-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc(C2CCC(CC(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H26ClNO3/c1-26-19-11-12-20(21(14-19)27-2)16-5-3-15(4-6-16)13-22(25)24-18-9-7-17(23)8-10-18/h7-12,14-16H,3-6,13H2,1-2H3,(H,24,25)
InChIKeyRWHMVOVWPGFZOX-UHFFFAOYSA-N
MW387.91 g/mol
LogP5.66
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide

N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide (PubChem CID 121324026) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide
PubChem CID121324026
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc(C2CCC(CC(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H26ClNO3/c1-26-19-11-12-20(21(14-19)27-2)16-5-3-15(4-6-16)13-22(25)24-18-9-7-17(23)8-10-18/h7-12,14-16H,3-6,13H2,1-2H3,(H,24,25)
InChIKeyRWHMVOVWPGFZOX-UHFFFAOYSA-N
XLogP5.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
CID 167552414
N-(4-chlorophenyl)-2-[4-(4-ethoxyphenyl)cyclohexyl]acetamide
CID 121325219
N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 161440636
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 121319520
3-[4-[2-(4-chloroanilino)-2-oxoethyl]cyclohexyl]benzoic acid
CID 121319777
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934289
(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934290
N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide
CID 121318162
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide (CID 121324026) is N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide is COc1ccc(C2CCC(CC(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide?
The InChIKey is RWHMVOVWPGFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-26-19-11-12-20(21(14-19)27-2)16-5-3-15(4-6-16)13-22(25)24-18-9-7-17(23)8-10-18/h7-12,14-16H,3-6,13H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide?
N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide has a molecular weight of 387.91 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 121324026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).