N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide

C15H20ClNO — CID 114147876

IUPACN-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H20ClNO/c16-14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)
InChIKeyXTRGGPAOISXWRV-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide

N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide (PubChem CID 114147876) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
PubChem CID114147876
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H20ClNO/c16-14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18)
InChIKeyXTRGGPAOISXWRV-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 23761916
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide (CID 114147876) is N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide?
The InChIKey is XTRGGPAOISXWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,18).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide?
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide has a molecular weight of 265.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 114147876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).