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

C17H15FN2O4 — CID 2933763

IUPACN-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN2O4/c1-2-24-14-8-9-15(16(11-14)20(22)23)19-17(21)10-5-12-3-6-13(18)7-4-12/h3-11H,2H2,1H3,(H,19,21)
InChIKeyVBZUGBGYJSWEJJ-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.78
Rot. Bonds6

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

N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 2933763) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID2933763
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN2O4/c1-2-24-14-8-9-15(16(11-14)20(22)23)19-17(21)10-5-12-3-6-13(18)7-4-12/h3-11H,2H2,1H3,(H,19,21)
InChIKeyVBZUGBGYJSWEJJ-UHFFFAOYSA-N
XLogP3.78
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
CID 6027037
N-(4-ethoxy-2-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2931629
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
(E)-3-(4-fluorophenyl)-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 6234632
3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 3291955
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 2792890
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 2933763) is N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide is CCOc1ccc(NC(=O)C=Cc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is VBZUGBGYJSWEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-2-24-14-8-9-15(16(11-14)20(22)23)19-17(21)10-5-12-3-6-13(18)7-4-12/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 330.32 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 2933763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).