3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide

C15H18Cl3NO — CID 63391653

IUPAC3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H18Cl3NO/c16-6-7-19(14-4-2-1-3-5-14)15(20)11-8-12(17)10-13(18)9-11/h8-10,14H,1-7H2
InChIKeyANPVZMZARFLIID-UHFFFAOYSA-N
MW334.67 g/mol
LogP5.01
Rot. Bonds4

About 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide

3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide (PubChem CID 63391653) has the molecular formula C15H18Cl3NO and a molecular weight of 334.67 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
PubChem CID63391653
Molecular FormulaC15H18Cl3NO
Molecular Weight334.67 g/mol
Exact Mass333.05
IUPAC Name3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H18Cl3NO/c16-6-7-19(14-4-2-1-3-5-14)15(20)11-8-12(17)10-13(18)9-11/h8-10,14H,1-7H2
InChIKeyANPVZMZARFLIID-UHFFFAOYSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide?
The IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide (CID 63391653) is 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide is O=C(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCCC1.
What is the InChIKey of 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide?
The InChIKey is ANPVZMZARFLIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3NO/c16-6-7-19(14-4-2-1-3-5-14)15(20)11-8-12(17)10-13(18)9-11/h8-10,14H,1-7H2.
What are the key properties of 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide?
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide has a molecular weight of 334.67 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide is sourced from PubChem (CID 63391653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).