2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide

C16H20ClNO2 — CID 121319520

IUPAC2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
SMILESCC(=O)C1CCC(CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO2/c1-11(19)13-4-2-12(3-5-13)10-16(20)18-15-8-6-14(17)7-9-15/h6-9,12-13H,2-5,10H2,1H3,(H,18,20)
InChIKeyUNQRPFQOSNOTED-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.06
Rot. Bonds4

About 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide

2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide (PubChem CID 121319520) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
PubChem CID121319520
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
SMILESCC(=O)C1CCC(CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO2/c1-11(19)13-4-2-12(3-5-13)10-16(20)18-15-8-6-14(17)7-9-15/h6-9,12-13H,2-5,10H2,1H3,(H,18,20)
InChIKeyUNQRPFQOSNOTED-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110858953
N-(4-chlorophenyl)-2-(4,4-difluorocyclohexyl)acetamide
CID 121319752
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 161440636
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
2-cyclopropyl-N-(4-sulfanylphenyl)acetamide
CID 68600520
N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
CID 138554091
N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 175311496
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide (CID 121319520) is 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide is CC(=O)C1CCC(CC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide?
The InChIKey is UNQRPFQOSNOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11(19)13-4-2-12(3-5-13)10-16(20)18-15-8-6-14(17)7-9-15/h6-9,12-13H,2-5,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide?
2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide has a molecular weight of 293.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 121319520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).