(E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide

C17H15FN2O3 — CID 7779962

IUPAC(E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide
SMILESCN(Cc1ccccc1F)C(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN2O3/c1-19(12-14-6-2-3-8-16(14)18)17(21)10-9-13-5-4-7-15(11-13)20(22)23/h2-11H,12H2,1H3/b10-9+
InChIKeyYGHXUHMEFLQEQF-MDZDMXLPSA-N
MW314.32 g/mol
LogP3.41
Rot. Bonds5

About (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide

(E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 7779962) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide
PubChem CID7779962
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide
SMILESCN(Cc1ccccc1F)C(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN2O3/c1-19(12-14-6-2-3-8-16(14)18)17(21)10-9-13-5-4-7-15(11-13)20(22)23/h2-11H,12H2,1H3/b10-9+
InChIKeyYGHXUHMEFLQEQF-MDZDMXLPSA-N
XLogP3.41
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide (CID 7779962) is (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide is CN(Cc1ccccc1F)C(=O)/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is YGHXUHMEFLQEQF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-19(12-14-6-2-3-8-16(14)18)17(21)10-9-13-5-4-7-15(11-13)20(22)23/h2-11H,12H2,1H3/b10-9+.
What are the key properties of (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 314.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 7779962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).