4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide

C18H24ClNO — CID 60949844

IUPAC4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
SMILESO=C(c1ccc(CCl)cc1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C18H24ClNO/c19-12-14-6-8-16(9-7-14)18(21)20(17-10-11-17)13-15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-13H2
InChIKeyHHSJDFRRODSFKA-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.61
Rot. Bonds5

About 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide

4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide (PubChem CID 60949844) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
PubChem CID60949844
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
SMILESO=C(c1ccc(CCl)cc1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C18H24ClNO/c19-12-14-6-8-16(9-7-14)18(21)20(17-10-11-17)13-15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-13H2
InChIKeyHHSJDFRRODSFKA-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 11688261
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
CID 79701617
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
The IUPAC name of 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide (CID 60949844) is 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide is O=C(c1ccc(CCl)cc1)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
The InChIKey is HHSJDFRRODSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c19-12-14-6-8-16(9-7-14)18(21)20(17-10-11-17)13-15-4-2-1-3-5-15/h6-9,15,17H,1-5,10-13H2.
What are the key properties of 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide has a molecular weight of 305.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide is sourced from PubChem (CID 60949844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).