N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide

C15H11F2NO — CID 882978

IUPACN-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccccc1F
InChIInChI=1S/C15H11F2NO/c16-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)17/h1-10H,(H,18,19)
InChIKeyVWDCVWNDQFDFKU-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.62
Rot. Bonds3

About N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide

N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 882978) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID882978
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccccc1F
InChIInChI=1S/C15H11F2NO/c16-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)17/h1-10H,(H,18,19)
InChIKeyVWDCVWNDQFDFKU-UHFFFAOYSA-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 ≤ 500259.26
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)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 71904483
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 882978) is N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is VWDCVWNDQFDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)17/h1-10H,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 259.26 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 N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 882978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).