2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide

C16H22ClNO — CID 64734444

IUPAC2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide
SMILESCC1CC(C)CC(NC(=O)C(Cl)c2ccccc2)C1
InChIInChI=1S/C16H22ClNO/c1-11-8-12(2)10-14(9-11)18-16(19)15(17)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3,(H,18,19)
InChIKeyLMNASJHULZMRJQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide

2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide (PubChem CID 64734444) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide
PubChem CID64734444
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide
SMILESCC1CC(C)CC(NC(=O)C(Cl)c2ccccc2)C1
InChIInChI=1S/C16H22ClNO/c1-11-8-12(2)10-14(9-11)18-16(19)15(17)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3,(H,18,19)
InChIKeyLMNASJHULZMRJQ-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.91
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

2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
CID 63463548
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
1-chloro-1-phenylpropan-2-one;ethane
CID 143290485
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide (CID 64734444) is 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide is CC1CC(C)CC(NC(=O)C(Cl)c2ccccc2)C1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide?
The InChIKey is LMNASJHULZMRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11-8-12(2)10-14(9-11)18-16(19)15(17)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide?
2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide has a molecular weight of 279.81 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylcyclohexyl)-2-phenylacetamide is sourced from PubChem (CID 64734444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).