(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide

C16H13F2NO — CID 7758290

IUPAC(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1ccccc1F
InChIInChI=1S/C16H13F2NO/c17-14-8-5-12(6-9-14)7-10-16(20)19-11-13-3-1-2-4-15(13)18/h1-10H,11H2,(H,19,20)/b10-7+
InChIKeyFNRGFJGMXMYLAA-JXMROGBWSA-N
MW273.28 g/mol
LogP3.29
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide (PubChem CID 7758290) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
PubChem CID7758290
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1ccccc1F
InChIInChI=1S/C16H13F2NO/c17-14-8-5-12(6-9-14)7-10-16(20)19-11-13-3-1-2-4-15(13)18/h1-10H,11H2,(H,19,20)/b10-7+
InChIKeyFNRGFJGMXMYLAA-JXMROGBWSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)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

(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7924760
(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 134036355
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 24608482
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 8869884
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
CID 78977264

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide (CID 7758290) is (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1F.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is FNRGFJGMXMYLAA-JXMROGBWSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-14-8-5-12(6-9-14)7-10-16(20)19-11-13-3-1-2-4-15(13)18/h1-10H,11H2,(H,19,20)/b10-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 273.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 7758290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).