(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C17H13F4NO — CID 26241538

IUPAC(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F4NO/c18-15-7-2-1-5-13(15)8-9-16(23)22-11-12-4-3-6-14(10-12)17(19,20)21/h1-10H,11H2,(H,22,23)/b9-8+
InChIKeyJITMCJODFWWHGG-CMDGGOBGSA-N
MW323.29 g/mol
LogP4.17
Rot. Bonds4

About (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 26241538) has the molecular formula C17H13F4NO and a molecular weight of 323.29 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID26241538
Molecular FormulaC17H13F4NO
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC Name(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F4NO/c18-15-7-2-1-5-13(15)8-9-16(23)22-11-12-4-3-6-14(10-12)17(19,20)21/h1-10H,11H2,(H,22,23)/b9-8+
InChIKeyJITMCJODFWWHGG-CMDGGOBGSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-nitrophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 73424015
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 122514292
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3641160
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 55676176
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[3-[[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55902946
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 18449573

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 26241538) is (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1ccccc1F)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is JITMCJODFWWHGG-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H13F4NO/c18-15-7-2-1-5-13(15)8-9-16(23)22-11-12-4-3-6-14(10-12)17(19,20)21/h1-10H,11H2,(H,22,23)/b9-8+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 323.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 26241538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).