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

C15H9F4NO — CID 71420101

IUPACN,3-bis(3,4-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H9F4NO/c16-11-4-1-9(7-13(11)18)2-6-15(21)20-10-3-5-12(17)14(19)8-10/h1-8H,(H,20,21)
InChIKeyMEVIIYHLRXVSPL-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.89
Rot. Bonds3

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

N,3-bis(3,4-difluorophenyl)prop-2-enamide (PubChem CID 71420101) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is N,3-bis(3,4-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN,3-bis(3,4-difluorophenyl)prop-2-enamide
PubChem CID71420101
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC NameN,3-bis(3,4-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H9F4NO/c16-11-4-1-9(7-13(11)18)2-6-15(21)20-10-3-5-12(17)14(19)8-10/h1-8H,(H,20,21)
InChIKeyMEVIIYHLRXVSPL-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.89
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-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
3-(3,4-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 90914729
(E)-3-(3,4-difluorophenyl)-N-[4-[(10-oxoanthracen-9-ylidene)methyl]phenyl]prop-2-enamide
CID 155814563
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 163966610
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(3,4-difluorophenyl)prop-2-enamide
CID 30453755
N-(3-chloro-4-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327932
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]prop-2-enamide
CID 24659674
methyl 4-[(E)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 26710628
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059

Frequently Asked Questions

What is the IUPAC name of N,3-bis(3,4-difluorophenyl)prop-2-enamide?
The IUPAC name of N,3-bis(3,4-difluorophenyl)prop-2-enamide (CID 71420101) is N,3-bis(3,4-difluorophenyl)prop-2-enamide.
What is the SMILES notation for N,3-bis(3,4-difluorophenyl)prop-2-enamide?
The canonical SMILES for N,3-bis(3,4-difluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N,3-bis(3,4-difluorophenyl)prop-2-enamide?
The InChIKey is MEVIIYHLRXVSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c16-11-4-1-9(7-13(11)18)2-6-15(21)20-10-3-5-12(17)14(19)8-10/h1-8H,(H,20,21).
What are the key properties of N,3-bis(3,4-difluorophenyl)prop-2-enamide?
N,3-bis(3,4-difluorophenyl)prop-2-enamide has a molecular weight of 295.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(3,4-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 71420101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).