3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide

C15H20ClNO — CID 43333330

IUPAC3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H20ClNO/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,18)
InChIKeyWNRFDVIWZVBOAY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.73
Rot. Bonds3

About 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide

3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide (PubChem CID 43333330) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
PubChem CID43333330
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H20ClNO/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,18)
InChIKeyWNRFDVIWZVBOAY-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.73
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

3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide
CID 62397719
3-(chloromethyl)-N-(2,4-dimethylcyclohexyl)benzamide
CID 63995699
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-(2-hydroxypropan-2-yl)-N-(2-methylcyclohexyl)benzamide
CID 110486141
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide (CID 43333330) is 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide?
The InChIKey is WNRFDVIWZVBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-5-2-3-8-14(11)17-15(18)13-7-4-6-12(9-13)10-16/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,18).
What are the key properties of 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide?
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide has a molecular weight of 265.78 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 43333330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).