4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide

C16H15N3O5 — CID 9088099

IUPAC4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C16H15N3O5/c1-2-11-3-5-12(6-4-11)16(21)18-17-14(20)9-7-13-8-10-15(24-13)19(22)23/h3-10H,2H2,1H3,(H,17,20)(H,18,21)/b9-7+
InChIKeyKAWVRXBKGALGHC-VQHVLOKHSA-N
MW329.31 g/mol
LogP2.22
Rot. Bonds5

About 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide

4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 9088099) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID9088099
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C16H15N3O5/c1-2-11-3-5-12(6-4-11)16(21)18-17-14(20)9-7-13-8-10-15(24-13)19(22)23/h3-10H,2H2,1H3,(H,17,20)(H,18,21)/b9-7+
InChIKeyKAWVRXBKGALGHC-VQHVLOKHSA-N
XLogP2.22
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
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

4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 5411990
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea
CID 8943041
3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide
CID 71086806
N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9092558
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
(Z)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 22299025
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide (CID 9088099) is 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is KAWVRXBKGALGHC-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-2-11-3-5-12(6-4-11)16(21)18-17-14(20)9-7-13-8-10-15(24-13)19(22)23/h3-10H,2H2,1H3,(H,17,20)(H,18,21)/b9-7+.
What are the key properties of 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide?
4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 329.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).