N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide

C16H21Cl2NO — CID 114303953

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
SMILESCC1CCCC(CCl)(NC(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H21Cl2NO/c1-12-4-3-7-16(10-12,11-17)19-15(20)9-13-5-2-6-14(18)8-13/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,19,20)
InChIKeyRAWACPKXWRRJTH-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide (PubChem CID 114303953) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
PubChem CID114303953
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
SMILESCC1CCCC(CCl)(NC(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H21Cl2NO/c1-12-4-3-7-16(10-12,11-17)19-15(20)9-13-5-2-6-14(18)8-13/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,19,20)
InChIKeyRAWACPKXWRRJTH-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.19
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-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenoxy)acetamide
CID 114303938
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
CID 114303922
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304114
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-(4-chlorophenyl)acetamide
CID 114314731
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-fluoro-3-methylbenzamide
CID 114303948
3-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 103212407
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 113273147

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide (CID 114303953) is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide is CC1CCCC(CCl)(NC(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is RAWACPKXWRRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-12-4-3-7-16(10-12,11-17)19-15(20)9-13-5-2-6-14(18)8-13/h2,5-6,8,12H,3-4,7,9-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 314.26 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 114303953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).