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

C14H14F3NO — CID 67893783

IUPAC(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(=C\C(=O)NC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-9(8-13(19)18-10-6-7-10)11-4-2-3-5-12(11)14(15,16)17/h2-5,8,10H,6-7H2,1H3,(H,18,19)/b9-8+
InChIKeyJXCQEVJWJNNWAT-CMDGGOBGSA-N
MW269.27 g/mol
LogP3.39
Rot. Bonds3

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

(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 67893783) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID67893783
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(=C\C(=O)NC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-9(8-13(19)18-10-6-7-10)11-4-2-3-5-12(11)14(15,16)17/h2-5,8,10H,6-7H2,1H3,(H,18,19)/b9-8+
InChIKeyJXCQEVJWJNNWAT-CMDGGOBGSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.39
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)-N-(oxolan-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 132965548
N-(3-methylsulfonylpropyl)-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 71998741
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
CID 142009385
N-cyclopropyl-5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxamide
CID 69397773
2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 55048150
(Z)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-[2-(trifluoromethyl)phenyl]but-2-en-1-one
CID 75408066
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(trifluoromethyl)phenyl]but-2-en-1-one
CID 111487178
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185
(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 173202863
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide (CID 67893783) is (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide is C/C(=C\C(=O)NC1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is JXCQEVJWJNNWAT-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-9(8-13(19)18-10-6-7-10)11-4-2-3-5-12(11)14(15,16)17/h2-5,8,10H,6-7H2,1H3,(H,18,19)/b9-8+.
What are the key properties of (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide?
(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 269.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 67893783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).