4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide

C15H20ClNO — CID 43333286

IUPAC4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(CCl)cc2)CC1
InChIInChI=1S/C15H20ClNO/c1-11-2-8-14(9-3-11)17-15(18)13-6-4-12(10-16)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyQCIHREVFAQXQMV-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.73
Rot. Bonds3

About 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide

4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide (PubChem CID 43333286) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
PubChem CID43333286
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(CCl)cc2)CC1
InChIInChI=1S/C15H20ClNO/c1-11-2-8-14(9-3-11)17-15(18)13-6-4-12(10-16)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyQCIHREVFAQXQMV-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

4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
N-(1-butylpiperidin-4-yl)-4-(chloromethyl)benzamide
CID 43696349
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79358822
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
CID 46485032
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
4-[[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-N-(4-methylcyclohexyl)benzamide
CID 15945491
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide (CID 43333286) is 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(CCl)cc2)CC1.
What is the InChIKey of 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide?
The InChIKey is QCIHREVFAQXQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-2-8-14(9-3-11)17-15(18)13-6-4-12(10-16)5-7-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide?
4-(chloromethyl)-N-(4-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 4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 43333286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).