N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide

C21H23ClFNO — CID 146986934

IUPACN-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
SMILESCc1cccc(C2CCC(CC(=O)Nc3ccc(Cl)c(F)c3)CC2)c1
InChIInChI=1S/C21H23ClFNO/c1-14-3-2-4-17(11-14)16-7-5-15(6-8-16)12-21(25)24-18-9-10-19(22)20(23)13-18/h2-4,9-11,13,15-16H,5-8,12H2,1H3,(H,24,25)
InChIKeyAPKZBZKOQMNYKV-UHFFFAOYSA-N
MW359.87 g/mol
LogP6.09
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide

N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide (PubChem CID 146986934) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
PubChem CID146986934
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
SMILESCc1cccc(C2CCC(CC(=O)Nc3ccc(Cl)c(F)c3)CC2)c1
InChIInChI=1S/C21H23ClFNO/c1-14-3-2-4-17(11-14)16-7-5-15(6-8-16)12-21(25)24-18-9-10-19(22)20(23)13-18/h2-4,9-11,13,15-16H,5-8,12H2,1H3,(H,24,25)
InChIKeyAPKZBZKOQMNYKV-UHFFFAOYSA-N
XLogP6.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 161440636
3-[4-[2-(4-chloroanilino)-2-oxoethyl]cyclohexyl]benzoic acid
CID 121319777
bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
CID 167552414
N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide
CID 160996728
N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
N-(4-chloro-3-fluorophenyl)-2-cyclohexylacetamide;1,3-thiazole
CID 145078223
3-[4-[(2-cyclopropylacetyl)amino]-2-fluorophenyl]prop-2-enoic acid
CID 77069539
ethane;2-(4-phenylcyclohexyl)-N-(4-phenylphenyl)acetamide
CID 145078209
N-(4-chlorophenyl)-2-[4-(4-ethoxyphenyl)cyclohexyl]acetamide
CID 121325219
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide (CID 146986934) is N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide is Cc1cccc(C2CCC(CC(=O)Nc3ccc(Cl)c(F)c3)CC2)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide?
The InChIKey is APKZBZKOQMNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c1-14-3-2-4-17(11-14)16-7-5-15(6-8-16)12-21(25)24-18-9-10-19(22)20(23)13-18/h2-4,9-11,13,15-16H,5-8,12H2,1H3,(H,24,25).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide?
N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide has a molecular weight of 359.87 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 146986934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).