(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide

C16H19F3N2O2 — CID 108934362

IUPAC(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide
SMILESC/C(=C\C(=O)NCc1ccccc1NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C16H19F3N2O2/c1-10(2)11(3)8-14(22)20-9-12-6-4-5-7-13(12)21-15(23)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,22)(H,21,23)/b11-8+
InChIKeySASTTZHHVHDBDI-DHZHZOJOSA-N
MW328.33 g/mol
LogP3.41
Rot. Bonds5

About (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide

(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide (PubChem CID 108934362) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide
PubChem CID108934362
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide
SMILESC/C(=C\C(=O)NCc1ccccc1NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C16H19F3N2O2/c1-10(2)11(3)8-14(22)20-9-12-6-4-5-7-13(12)21-15(23)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,22)(H,21,23)/b11-8+
InChIKeySASTTZHHVHDBDI-DHZHZOJOSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
(E)-3-cyclopentyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934358
(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934341
(E)-3-cyclohexyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934348
(E)-4,4-dimethyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934343
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926215
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide?
The IUPAC name of (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide (CID 108934362) is (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide.
What is the SMILES notation for (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide?
The canonical SMILES for (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide is C/C(=C\C(=O)NCc1ccccc1NC(=O)C(F)(F)F)C(C)C.
What is the InChIKey of (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide?
The InChIKey is SASTTZHHVHDBDI-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-10(2)11(3)8-14(22)20-9-12-6-4-5-7-13(12)21-15(23)16(17,18)19/h4-8,10H,9H2,1-3H3,(H,20,22)(H,21,23)/b11-8+.
What are the key properties of (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide?
(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide has a molecular weight of 328.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide is sourced from PubChem (CID 108934362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).