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

C15H10F3NO — CID 4695232

IUPACN-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-12-6-7-13(17)14(18)9-12/h1-9H,(H,19,20)
InChIKeyXUHJCMXVSXWONX-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.76
Rot. Bonds3

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

N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 4695232) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID4695232
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC NameN-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H10F3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-12-6-7-13(17)14(18)9-12/h1-9H,(H,19,20)
InChIKeyXUHJCMXVSXWONX-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.76
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

N,3-bis(3,4-difluorophenyl)prop-2-enamide
CID 71420101
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
(E)-N-(1,3-dioxoisoindol-5-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17172115
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 5116576
(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 18285555
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
3-(3,4-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 90914729
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 4695232) is N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is XUHJCMXVSXWONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-12-6-7-13(17)14(18)9-12/h1-9H,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 277.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 4695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).