5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide

C17H20Cl3NO — CID 139938077

IUPAC5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide
SMILESO=C(CC(C=C(Cl)Cl)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C17H20Cl3NO/c18-14-8-6-12(7-9-14)13(10-16(19)20)11-17(22)21-15-4-2-1-3-5-15/h6-10,13,15H,1-5,11H2,(H,21,22)
InChIKeyVYHJAHFOHHFXAZ-UHFFFAOYSA-N
MW360.71 g/mol
LogP5.58
Rot. Bonds5

About 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide

5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide (PubChem CID 139938077) has the molecular formula C17H20Cl3NO and a molecular weight of 360.71 g/mol. Its IUPAC name is 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide.

Molecular Properties

Compound Name5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide
PubChem CID139938077
Molecular FormulaC17H20Cl3NO
Molecular Weight360.71 g/mol
Exact Mass359.06
IUPAC Name5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide
SMILESO=C(CC(C=C(Cl)Cl)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C17H20Cl3NO/c18-14-8-6-12(7-9-14)13(10-16(19)20)11-17(22)21-15-4-2-1-3-5-15/h6-10,13,15H,1-5,11H2,(H,21,22)
InChIKeyVYHJAHFOHHFXAZ-UHFFFAOYSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
CID 51654514
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide?
The IUPAC name of 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide (CID 139938077) is 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide.
What is the SMILES notation for 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide?
The canonical SMILES for 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide is O=C(CC(C=C(Cl)Cl)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide?
The InChIKey is VYHJAHFOHHFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl3NO/c18-14-8-6-12(7-9-14)13(10-16(19)20)11-17(22)21-15-4-2-1-3-5-15/h6-10,13,15H,1-5,11H2,(H,21,22).
What are the key properties of 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide?
5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide has a molecular weight of 360.71 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide is sourced from PubChem (CID 139938077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).