3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide

C15H9F3N2O3 — CID 76865698

IUPAC3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1c(F)cccc1F)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H9F3N2O3/c16-11-2-1-3-12(17)10(11)5-7-15(21)19-14-8-9(20(22)23)4-6-13(14)18/h1-8H,(H,19,21)
InChIKeyWQEIKIMKZHQKQO-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.66
Rot. Bonds4

About 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide

3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide (PubChem CID 76865698) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
PubChem CID76865698
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1c(F)cccc1F)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H9F3N2O3/c16-11-2-1-3-12(17)10(11)5-7-15(21)19-14-8-9(20(22)23)4-6-13(14)18/h1-8H,(H,19,21)
InChIKeyWQEIKIMKZHQKQO-UHFFFAOYSA-N
XLogP3.66
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 84554354
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2931896
(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 45051358
3-(4-ethoxy-3-methoxyphenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76860578
(E)-3-(4-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 17342492
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-N-(2-methyl-5-nitrophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26576813
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide (CID 76865698) is 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide is O=C(C=Cc1c(F)cccc1F)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide?
The InChIKey is WQEIKIMKZHQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-11-2-1-3-12(17)10(11)5-7-15(21)19-14-8-9(20(22)23)4-6-13(14)18/h1-8H,(H,19,21).
What are the key properties of 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide?
3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide has a molecular weight of 322.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 76865698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).