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

C17H15FN2O3 — CID 890666

IUPAC(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-15-8-5-13(6-9-15)11-12-19-17(21)10-7-14-3-1-2-4-16(14)20(22)23/h1-10H,11-12H2,(H,19,21)/b10-7+
InChIKeyWETITLDTARWTTI-JXMROGBWSA-N
MW314.32 g/mol
LogP3.11
Rot. Bonds6

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

(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 890666) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID890666
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-15-8-5-13(6-9-15)11-12-19-17(21)10-7-14-3-1-2-4-16(14)20(22)23/h1-10H,11-12H2,(H,19,21)/b10-7+
InChIKeyWETITLDTARWTTI-JXMROGBWSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.11
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

2-nitro-N-(2-phenylethyl)benzamide
CID 720792
4-nitro-N-(2-phenylethyl)benzamide
CID 230117
Benzamide, N-[2-(4-nitrophenyl)ethyl]-
CID 913108
3-nitro-N-(4-phenylbutyl)benzamide
CID 3106540
N-benzyl-2-nitrobenzamide
CID 675871
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 2181642
N-benzyl-2-cyano-5-(2-nitrophenyl)penta-2,4-dienamide
CID 2351439
(E)-N-(2-methylbutan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 2397135
(E)-N-[(2-chlorophenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2418253
1-Methyl-3-nitro-4-phenethylamino-1H-quinolin-2-one
CID 2877555
1-[(4-fluorophenyl)methyl]-5-nitro-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 118001626

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide (CID 890666) is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is WETITLDTARWTTI-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-15-8-5-13(6-9-15)11-12-19-17(21)10-7-14-3-1-2-4-16(14)20(22)23/h1-10H,11-12H2,(H,19,21)/b10-7+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 314.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).