3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide

C16H20ClNO — CID 692470

IUPAC3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H20ClNO/c1-18(15-5-3-2-4-6-15)16(19)12-9-13-7-10-14(17)11-8-13/h7-12,15H,2-6H2,1H3
InChIKeyFVZBBZAVPPNDML-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.14
Rot. Bonds3

About 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide

3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide (PubChem CID 692470) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
PubChem CID692470
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H20ClNO/c1-18(15-5-3-2-4-6-15)16(19)12-9-13-7-10-14(17)11-8-13/h7-12,15H,2-6H2,1H3
InChIKeyFVZBBZAVPPNDML-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
(E)-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylprop-2-enamide
CID 6594755
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 55334511
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 46542781
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642
5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide
CID 91233541

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide (CID 692470) is 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide is CN(C(=O)C=Cc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide?
The InChIKey is FVZBBZAVPPNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-18(15-5-3-2-4-6-15)16(19)12-9-13-7-10-14(17)11-8-13/h7-12,15H,2-6H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide?
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide has a molecular weight of 277.80 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide is sourced from PubChem (CID 692470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).