(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide

C15H16F3NO — CID 3033649

IUPAC(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(C(=O)NC1CC1)=C(/C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-9(10(2)14(20)19-13-6-7-13)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,6-7H2,1-2H3,(H,19,20)/b10-9+
InChIKeyLTMJIRRSCNJXDH-MDZDMXLPSA-N
MW283.29 g/mol
LogP3.78
Rot. Bonds3

About (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide

(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 3033649) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID3033649
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(C(=O)NC1CC1)=C(/C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-9(10(2)14(20)19-13-6-7-13)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,6-7H2,1-2H3,(H,19,20)/b10-9+
InChIKeyLTMJIRRSCNJXDH-MDZDMXLPSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.78
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

Cinflumide
CID 6434871
Cinnamamide, N-methyl-m-(trifluoromethyl)-
CID 1527154
N-(4-phenylbutan-2-yl)cyclopropanecarboxamide
CID 2931988
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
N-cyclopropyl-3-(4-isobutylphenyl)acrylamide
CID 1224012
Cinnamamide, N-cyclopropyl-m-(trifluoromethyl)-, (E)-
CID 6434872
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514
3-(4-fluorophenyl)-N-(1-isopropyl-2-methylpropyl)acrylamide
CID 881322
Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(1-methyl-2-phenylethyl)-
CID 617568
N-Trifluoroacetyl amphetamine
CID 530398
Cinnamamide, N-cyclopropyl-alpha,beta-dimethyl-, (E)-
CID 3033119
Cinnamamide, N-allyl-alpha,beta-dimethyl-, (E)-
CID 3033120

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide (CID 3033649) is (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide is C/C(C(=O)NC1CC1)=C(/C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is LTMJIRRSCNJXDH-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-9(10(2)14(20)19-13-6-7-13)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,6-7H2,1-2H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 283.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 3033649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).