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

C15H20ClNO — CID 43317913

IUPAC4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2ccc(CCl)cc2)C1
InChIInChI=1S/C15H20ClNO/c1-11-3-2-4-14(9-11)17-15(18)13-7-5-12(10-16)6-8-13/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyVYOOXKRPVNCQBL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.73
Rot. Bonds3

About 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide

4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide (PubChem CID 43317913) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
PubChem CID43317913
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2ccc(CCl)cc2)C1
InChIInChI=1S/C15H20ClNO/c1-11-3-2-4-14(9-11)17-15(18)13-7-5-12(10-16)6-8-13/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyVYOOXKRPVNCQBL-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

N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
6-(methylamino)-N-(3-methylcyclohexyl)pyridine-3-carboxamide
CID 62168135
N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
CID 114549766
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide (CID 43317913) is 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide is CC1CCCC(NC(=O)c2ccc(CCl)cc2)C1.
What is the InChIKey of 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide?
The InChIKey is VYOOXKRPVNCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-3-2-4-14(9-11)17-15(18)13-7-5-12(10-16)6-8-13/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide?
4-(chloromethyl)-N-(3-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-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 43317913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).