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

C15H10F2N2O3 — CID 51158974

IUPAC(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3/c16-12-5-2-6-13(17)15(12)18-14(20)8-7-10-3-1-4-11(9-10)19(21)22/h1-9H,(H,18,20)/b8-7+
InChIKeyVLCYXSRHPDDKER-BQYQJAHWSA-N
MW304.25 g/mol
LogP3.52
Rot. Bonds4

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

(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 51158974) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID51158974
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC Name(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3/c16-12-5-2-6-13(17)15(12)18-14(20)8-7-10-3-1-4-11(9-10)19(21)22/h1-9H,(H,18,20)/b8-7+
InChIKeyVLCYXSRHPDDKER-BQYQJAHWSA-N
XLogP3.52
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.52
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'}

Analyze (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 7812321
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
(E)-N-(2-methylsulfanylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6213183
(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 51158962
(E)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 55835014

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 51158974) is (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F.
What is the InChIKey of (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is VLCYXSRHPDDKER-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c16-12-5-2-6-13(17)15(12)18-14(20)8-7-10-3-1-4-11(9-10)19(21)22/h1-9H,(H,18,20)/b8-7+.
What are the key properties of (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 304.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 51158974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).