(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide

C15H17ClFNO — CID 896747

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H17ClFNO/c16-13-7-4-8-14(17)12(13)9-10-15(19)18-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)/b10-9+
InChIKeyZSLHEZNAFRAOMD-MDZDMXLPSA-N
MW281.76 g/mol
LogP3.94
Rot. Bonds3

About (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide (PubChem CID 896747) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
PubChem CID896747
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H17ClFNO/c16-13-7-4-8-14(17)12(13)9-10-15(19)18-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)/b10-9+
InChIKeyZSLHEZNAFRAOMD-MDZDMXLPSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
CID 3685780
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 24614374
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide
CID 5375577
3-(2-chloro-6-fluorophenyl)-N-(2,6-dioxopiperidin-3-yl)prop-2-enamide
CID 77109569
3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125023
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
3-(2-chloro-6-fluorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 76945871
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
3-(2-chloro-6-fluorophenyl)-N-cyanoprop-2-enamide
CID 79193896

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide (CID 896747) is (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide is O=C(/C=C/c1c(F)cccc1Cl)NC1CCCCC1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide?
The InChIKey is ZSLHEZNAFRAOMD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H17ClFNO/c16-13-7-4-8-14(17)12(13)9-10-15(19)18-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,18,19)/b10-9+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide has a molecular weight of 281.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide is sourced from PubChem (CID 896747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).