(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide

C15H11FN2O3 — CID 5348458

IUPAC(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11FN2O3/c16-12-8-5-11(6-9-12)7-10-15(19)17-13-3-1-2-4-14(13)18(20)21/h1-10H,(H,17,19)/b10-7+
InChIKeyNXGFARUEKCUGRU-JXMROGBWSA-N
MW286.26 g/mol
LogP3.39
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide (PubChem CID 5348458) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
PubChem CID5348458
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11FN2O3/c16-12-8-5-11(6-9-12)7-10-15(19)17-13-3-1-2-4-14(13)18(20)21/h1-10H,(H,17,19)/b10-7+
InChIKeyNXGFARUEKCUGRU-JXMROGBWSA-N
XLogP3.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.39
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

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108907912
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 92909271
(E)-3-(4-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 17342492
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 51057666
(E)-N'-(2-nitrophenyl)-3-phenylprop-2-enehydrazide
CID 6132769

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide (CID 5348458) is (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
The InChIKey is NXGFARUEKCUGRU-JXMROGBWSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-12-8-5-11(6-9-12)7-10-15(19)17-13-3-1-2-4-14(13)18(20)21/h1-10H,(H,17,19)/b10-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide has a molecular weight of 286.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5348458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).