2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide

C20H28ClNO2 — CID 175311496

IUPAC2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide
SMILESCCCCC1(CC(=O)Nc2ccc(Cl)cc2)CCC(C(C)=O)CC1
InChIInChI=1S/C20H28ClNO2/c1-3-4-11-20(12-9-16(10-13-20)15(2)23)14-19(24)22-18-7-5-17(21)6-8-18/h5-8,16H,3-4,9-14H2,1-2H3,(H,22,24)
InChIKeyMMKFZOINQZPFQZ-UHFFFAOYSA-N
MW349.90 g/mol
LogP5.62
Rot. Bonds7

About 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide

2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide (PubChem CID 175311496) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide
PubChem CID175311496
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide
SMILESCCCCC1(CC(=O)Nc2ccc(Cl)cc2)CCC(C(C)=O)CC1
InChIInChI=1S/C20H28ClNO2/c1-3-4-11-20(12-9-16(10-13-20)15(2)23)14-19(24)22-18-7-5-17(21)6-8-18/h5-8,16H,3-4,9-14H2,1-2H3,(H,22,24)
InChIKeyMMKFZOINQZPFQZ-UHFFFAOYSA-N
XLogP5.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.90
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 121319520
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]acetamide
CID 98304309
N-(4-chlorophenyl)-2-(4,4-difluorocyclohexyl)acetamide
CID 121319752
N-(4-chlorophenyl)-2-[(1-ethylcyclopropyl)methylamino]acetamide
CID 114099958
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide (CID 175311496) is 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide is CCCCC1(CC(=O)Nc2ccc(Cl)cc2)CCC(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide?
The InChIKey is MMKFZOINQZPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO2/c1-3-4-11-20(12-9-16(10-13-20)15(2)23)14-19(24)22-18-7-5-17(21)6-8-18/h5-8,16H,3-4,9-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide?
2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide has a molecular weight of 349.90 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1-butylcyclohexyl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 175311496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).