3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C11H9ClF3NO — CID 102603527

IUPAC3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCC(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c12-9-4-1-8(2-5-9)3-6-10(17)16-7-11(13,14)15/h1-6H,7H2,(H,16,17)
InChIKeyURZSWKGHBXBVBS-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.03
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 102603527) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID102603527
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCC(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c12-9-4-1-8(2-5-9)3-6-10(17)16-7-11(13,14)15/h1-6H,7H2,(H,16,17)
InChIKeyURZSWKGHBXBVBS-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.03
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

(E)-3-(4-chlorophenyl)-N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 95753582
(E)-3-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 60546571
3-(4-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)prop-2-enamide
CID 77114275
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78780303
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 75982125
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 102603527) is 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCC(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is URZSWKGHBXBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-4-1-8(2-5-9)3-6-10(17)16-7-11(13,14)15/h1-6H,7H2,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 263.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 102603527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).