(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

C14H15F3N2O — CID 115343806

IUPAC(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-19(12-5-6-12)13(20)7-4-10-2-1-3-11(18)8-10/h1-4,7-8,12H,5-6,9,18H2/b7-4+
InChIKeyMHWCFCBJNUJLPZ-QPJJXVBHSA-N
MW284.28 g/mol
LogP2.84
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 115343806) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID115343806
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-19(12-5-6-12)13(20)7-4-10-2-1-3-11(18)8-10/h1-4,7-8,12H,5-6,9,18H2/b7-4+
InChIKeyMHWCFCBJNUJLPZ-QPJJXVBHSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 90554750
(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 106202755
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 82738879
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-tert-butylamino]propanoic acid
CID 115343546
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
(E)-3-(4-nitrophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 90554786
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 115344008
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 115343806) is (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is Nc1cccc(/C=C/C(=O)N(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is MHWCFCBJNUJLPZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)9-19(12-5-6-12)13(20)7-4-10-2-1-3-11(18)8-10/h1-4,7-8,12H,5-6,9,18H2/b7-4+.
What are the key properties of (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 284.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 115343806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).