2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide

C17H24ClNO — CID 63463548

IUPAC2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
SMILESCCCC1CCC(NC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C17H24ClNO/c1-2-6-13-9-11-15(12-10-13)19-17(20)16(18)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12H2,1H3,(H,19,20)
InChIKeyNBSARPXSBWILLB-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.44
Rot. Bonds5

About 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide

2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide (PubChem CID 63463548) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
PubChem CID63463548
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
SMILESCCCC1CCC(NC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C17H24ClNO/c1-2-6-13-9-11-15(12-10-13)19-17(20)16(18)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12H2,1H3,(H,19,20)
InChIKeyNBSARPXSBWILLB-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide
CID 64734444
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032
2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
CID 115525365
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
1-phenyl-3-(4-propylcyclohexyl)thiourea
CID 115591592
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide (CID 63463548) is 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide is CCCC1CCC(NC(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide?
The InChIKey is NBSARPXSBWILLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-6-13-9-11-15(12-10-13)19-17(20)16(18)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12H2,1H3,(H,19,20).
What are the key properties of 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide?
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide has a molecular weight of 293.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide is sourced from PubChem (CID 63463548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).