(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide

C15H11F2NO — CID 8761062

IUPAC(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(F)c1
InChIInChI=1S/C15H11F2NO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)/b9-8+
InChIKeyZVVBMOHHSWTUKT-CMDGGOBGSA-N
MW259.25 g/mol
LogP3.62
Rot. Bonds3

About (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide

(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide (PubChem CID 8761062) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
PubChem CID8761062
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(F)c1
InChIInChI=1S/C15H11F2NO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)/b9-8+
InChIKeyZVVBMOHHSWTUKT-CMDGGOBGSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933370
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 26240448
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
(E)-N-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2683620
4-(3-fluoroanilino)-4-oxobut-2-enoate
CID 4281248
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide (CID 8761062) is (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1cccc(F)c1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
The InChIKey is ZVVBMOHHSWTUKT-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)/b9-8+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide has a molecular weight of 259.25 g/mol, XLogP of 3.62, 3 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-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8761062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).