N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide

C18H26ClNO — CID 114304371

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC2(CCl)CCC(C)CC2)c1
InChIInChI=1S/C18H26ClNO/c1-13-6-8-18(12-19,9-7-13)20-17(21)11-16-10-14(2)4-5-15(16)3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,21)
InChIKeyZDIDRGFNPBMBHQ-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide

N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 114304371) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID114304371
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC2(CCl)CCC(C)CC2)c1
InChIInChI=1S/C18H26ClNO/c1-13-6-8-18(12-19,9-7-13)20-17(21)11-16-10-14(2)4-5-15(16)3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,21)
InChIKeyZDIDRGFNPBMBHQ-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.15
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-(2,5-dimethylphenyl)acetamide
CID 114304114
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4,6-trimethylbenzamide
CID 114304211
2-(2,5-dimethylphenyl)-N-(4-methoxy-1-methylcyclohexyl)acetamide
CID 130242276
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500
2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62538809
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
CID 114170463
1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide (CID 114304371) is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC2(CCl)CCC(C)CC2)c1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZDIDRGFNPBMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13-6-8-18(12-19,9-7-13)20-17(21)11-16-10-14(2)4-5-15(16)3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 307.86 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 114304371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).