3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide

C15H20ClNO — CID 10611761

IUPAC3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CCl)c1)C1CCCCC1
InChIInChI=1S/C15H20ClNO/c1-17(14-8-3-2-4-9-14)15(18)13-7-5-6-12(10-13)11-16/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKeyNULCLHCGVNPKNL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.83
Rot. Bonds3

About 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide

3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide (PubChem CID 10611761) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
PubChem CID10611761
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CCl)c1)C1CCCCC1
InChIInChI=1S/C15H20ClNO/c1-17(14-8-3-2-4-9-14)15(18)13-7-5-6-12(10-13)11-16/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKeyNULCLHCGVNPKNL-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
CID 61027253
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
CID 82179274
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
3-[[4-[cyclohexyl(methyl)carbamoyl]anilino]methyl]benzoic acid
CID 122034036
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide (CID 10611761) is 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1cccc(CCl)c1)C1CCCCC1.
What is the InChIKey of 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide?
The InChIKey is NULCLHCGVNPKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17(14-8-3-2-4-9-14)15(18)13-7-5-6-12(10-13)11-16/h5-7,10,14H,2-4,8-9,11H2,1H3.
What are the key properties of 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide?
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide has a molecular weight of 265.78 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 10611761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).