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

C17H24ClNO — CID 63463700

IUPAC3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C17H24ClNO/c1-2-4-13-7-9-16(10-8-13)19-17(20)15-6-3-5-14(11-15)12-18/h3,5-6,11,13,16H,2,4,7-10,12H2,1H3,(H,19,20)
InChIKeyHACXERZKXWGXFX-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.51
Rot. Bonds5

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

3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide (PubChem CID 63463700) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
PubChem CID63463700
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C17H24ClNO/c1-2-4-13-7-9-16(10-8-13)19-17(20)15-6-3-5-14(11-15)12-18/h3,5-6,11,13,16H,2,4,7-10,12H2,1H3,(H,19,20)
InChIKeyHACXERZKXWGXFX-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.51
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

1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide
CID 62397719
3-(chloromethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033483
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide (CID 63463700) is 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide is CCCC1CCC(NC(=O)c2cccc(CCl)c2)CC1.
What is the InChIKey of 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide?
The InChIKey is HACXERZKXWGXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-4-13-7-9-16(10-8-13)19-17(20)15-6-3-5-14(11-15)12-18/h3,5-6,11,13,16H,2,4,7-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide?
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide has a molecular weight of 293.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide is sourced from PubChem (CID 63463700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).