(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

C15H9F3N2O3 — CID 6289668

IUPAC(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N2O3/c16-11-5-6-12(15(18)14(11)17)19-13(21)7-4-9-2-1-3-10(8-9)20(22)23/h1-8H,(H,19,21)/b7-4+
InChIKeyLWXVBDLEUKVRIY-QPJJXVBHSA-N
MW322.24 g/mol
LogP3.66
Rot. Bonds4

About (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (PubChem CID 6289668) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
PubChem CID6289668
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N2O3/c16-11-5-6-12(15(18)14(11)17)19-13(21)7-4-9-2-1-3-10(8-9)20(22)23/h1-8H,(H,19,21)/b7-4+
InChIKeyLWXVBDLEUKVRIY-QPJJXVBHSA-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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2567953
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
(E)-N-(2-methylsulfanylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6213183
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(2-bromo-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 1069900

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (CID 6289668) is (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The InChIKey is LWXVBDLEUKVRIY-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-11-5-6-12(15(18)14(11)17)19-13(21)7-4-9-2-1-3-10(8-9)20(22)23/h1-8H,(H,19,21)/b7-4+.
What are the key properties of (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)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 (E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 6289668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).