N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide

C19H17F3N2O2 — CID 108573647

IUPACN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)16-9-5-4-8-15(16)18(26)24-13-12-23-17(25)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,25)(H,24,26)/b11-10+
InChIKeyIITKOYNGSJFAGS-ZHACJKMWSA-N
MW362.35 g/mol
LogP3.26
Rot. Bonds6

About N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 108573647) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID108573647
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)16-9-5-4-8-15(16)18(26)24-13-12-23-17(25)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,25)(H,24,26)/b11-10+
InChIKeyIITKOYNGSJFAGS-ZHACJKMWSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574409
3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574693
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 11674929
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573667
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide (CID 108573647) is N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide is O=C(/C=C/c1ccccc1)NCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IITKOYNGSJFAGS-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)16-9-5-4-8-15(16)18(26)24-13-12-23-17(25)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,25)(H,24,26)/b11-10+.
What are the key properties of N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108573647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).