N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide

C17H13N3O4 — CID 150690704

IUPACN'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide
SMILESO=C(c1ccccc1)N(Nc1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H13N3O4/c21-17(13-5-2-1-3-6-13)19(18-16-7-4-12-24-16)14-8-10-15(11-9-14)20(22)23/h1-12,18H
InChIKeyJJUWZYLAOZOOIO-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.86
Rot. Bonds5

About N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide

N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide (PubChem CID 150690704) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide
PubChem CID150690704
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide
SMILESO=C(c1ccccc1)N(Nc1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H13N3O4/c21-17(13-5-2-1-3-6-13)19(18-16-7-4-12-24-16)14-8-10-15(11-9-14)20(22)23/h1-12,18H
InChIKeyJJUWZYLAOZOOIO-UHFFFAOYSA-N
XLogP3.86
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzamido-1-(4-nitrophenyl)thiourea
CID 174603040
N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide
CID 4046814
N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide
CID 1494298
N-[3-(furan-2-ylmethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1091225
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
CID 11450808
(4-nitrophenyl) N-anilino-N-phenylcarbamate
CID 91700020
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
CID 168528552
bis(4-nitrophenyl)carbamic acid
CID 20515803

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide?
The IUPAC name of N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide (CID 150690704) is N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide is O=C(c1ccccc1)N(Nc1ccco1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide?
The InChIKey is JJUWZYLAOZOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(13-5-2-1-3-6-13)19(18-16-7-4-12-24-16)14-8-10-15(11-9-14)20(22)23/h1-12,18H.
What are the key properties of N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide?
N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide has a molecular weight of 323.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 150690704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).