2-chloro-N-cyclohexyl-2-phenylacetamide

C14H18ClNO — CID 11032339

IUPAC2-chloro-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C14H18ClNO/c15-13(11-7-3-1-4-8-11)14(17)16-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,17)
InChIKeyXHBROPFWBXDZDK-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-N-cyclohexyl-2-phenylacetamide

2-chloro-N-cyclohexyl-2-phenylacetamide (PubChem CID 11032339) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-phenylacetamide
PubChem CID11032339
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-chloro-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1ccccc1
InChIInChI=1S/C14H18ClNO/c15-13(11-7-3-1-4-8-11)14(17)16-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,17)
InChIKeyXHBROPFWBXDZDK-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.42
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-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
CID 63463548
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032
2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide
CID 64734444
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
CID 62407196

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-phenylacetamide (CID 11032339) is 2-chloro-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-phenylacetamide is O=C(NC1CCCCC1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-phenylacetamide?
The InChIKey is XHBROPFWBXDZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-13(11-7-3-1-4-8-11)14(17)16-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,16,17).
What are the key properties of 2-chloro-N-cyclohexyl-2-phenylacetamide?
2-chloro-N-cyclohexyl-2-phenylacetamide has a molecular weight of 251.76 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 11032339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).