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

C10H18ClNO — CID 114303940

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
SMILESCC(=O)NC1(CCl)CCCC(C)C1
InChIInChI=1S/C10H18ClNO/c1-8-4-3-5-10(6-8,7-11)12-9(2)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyDKLMLISSAYPYTP-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.31
Rot. Bonds2

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

N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide (PubChem CID 114303940) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
PubChem CID114303940
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
SMILESCC(=O)NC1(CCl)CCCC(C)C1
InChIInChI=1S/C10H18ClNO/c1-8-4-3-5-10(6-8,7-11)12-9(2)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyDKLMLISSAYPYTP-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.31
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-ethylbutanamide
CID 114304013
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
CID 114304094
N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
CID 114304010
1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 107901067
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 113273147
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934
N-[1-(chloromethyl)-3-methylcyclohexyl]-3,4,5-trifluorobenzamide
CID 114304031
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
CID 114303922
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(chloromethyl)-3-methylcyclohexyl]-1,2-oxazole-3-carboxamide
CID 114304118
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(chloromethyl)-3-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 114303998

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide (CID 114303940) is N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide is CC(=O)NC1(CCl)CCCC(C)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide?
The InChIKey is DKLMLISSAYPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8-4-3-5-10(6-8,7-11)12-9(2)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide has a molecular weight of 203.71 g/mol, XLogP of 2.31, 2 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]acetamide is sourced from PubChem (CID 114303940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).