(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide

C20H17N3O4 — CID 9075562

IUPAC(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3O4/c24-19(13-11-18-12-14-20(27-18)23(25)26)21-22(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,21,24)/b13-11+
InChIKeyFGZPUPGKKQBDFN-ACCUITESSA-N
MW363.37 g/mol
LogP3.94
Rot. Bonds7

About (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide

(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide (PubChem CID 9075562) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide
PubChem CID9075562
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3O4/c24-19(13-11-18-12-14-20(27-18)23(25)26)21-22(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,21,24)/b13-11+
InChIKeyFGZPUPGKKQBDFN-ACCUITESSA-N
XLogP3.94
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 9088099
(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 22299025
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 8531519
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9150471
3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide
CID 71086806
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea
CID 8943041
4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 5411990
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
(E)-N-[(1R,2S)-2-methylcyclohexyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9084372

Frequently Asked Questions

What is the IUPAC name of (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide (CID 9075562) is (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide is O=C(/C=C/c1ccc([N+](=O)[O-])o1)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide?
The InChIKey is FGZPUPGKKQBDFN-ACCUITESSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19(13-11-18-12-14-20(27-18)23(25)26)21-22(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,21,24)/b13-11+.
What are the key properties of (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide?
(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide has a molecular weight of 363.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide is sourced from PubChem (CID 9075562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).