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

C15H10F2N2O3 — CID 51158962

IUPAC(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3/c16-11-5-3-6-12(17)15(11)18-14(20)9-8-10-4-1-2-7-13(10)19(21)22/h1-9H,(H,18,20)/b9-8+
InChIKeyITOBZLJURMDMNZ-CMDGGOBGSA-N
MW304.25 g/mol
LogP3.52
Rot. Bonds4

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

(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 51158962) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID51158962
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC Name(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3/c16-11-5-3-6-12(17)15(11)18-14(20)9-8-10-4-1-2-7-13(10)19(21)22/h1-9H,(H,18,20)/b9-8+
InChIKeyITOBZLJURMDMNZ-CMDGGOBGSA-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-(2-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

(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
(E)-3-(2-nitrophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837444
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 51158962) is (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F.
What is the InChIKey of (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is ITOBZLJURMDMNZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c16-11-5-3-6-12(17)15(11)18-14(20)9-8-10-4-1-2-7-13(10)19(21)22/h1-9H,(H,18,20)/b9-8+.
What are the key properties of (E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-(2,6-difluorophenyl)-3-(2-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-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 51158962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).