3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide

C17H24ClNO — CID 61027253

IUPAC3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
SMILESCCC1CCC(N(C)C(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C17H24ClNO/c1-3-13-7-9-16(10-8-13)19(2)17(20)15-6-4-5-14(11-15)12-18/h4-6,11,13,16H,3,7-10,12H2,1-2H3
InChIKeyFKZAYSBDNDJPIF-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.47
Rot. Bonds4

About 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide

3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide (PubChem CID 61027253) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
PubChem CID61027253
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
SMILESCCC1CCC(N(C)C(=O)c2cccc(CCl)c2)CC1
InChIInChI=1S/C17H24ClNO/c1-3-13-7-9-16(10-8-13)19(2)17(20)15-6-4-5-14(11-15)12-18/h4-6,11,13,16H,3,7-10,12H2,1-2H3
InChIKeyFKZAYSBDNDJPIF-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide (CID 61027253) is 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide is CCC1CCC(N(C)C(=O)c2cccc(CCl)c2)CC1.
What is the InChIKey of 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide?
The InChIKey is FKZAYSBDNDJPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-13-7-9-16(10-8-13)19(2)17(20)15-6-4-5-14(11-15)12-18/h4-6,11,13,16H,3,7-10,12H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide?
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide has a molecular weight of 293.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 61027253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).