2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide

C17H15N3O4 — CID 4213770

IUPAC2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
SMILESCC(=CC(=O)c1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4/c1-12(11-16(21)13-7-3-2-4-8-13)18-19-17(22)14-9-5-6-10-15(14)20(23)24/h2-11,18H,1H3,(H,19,22)
InChIKeyOSAISGHZQCUCCN-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.62
Rot. Bonds6

About 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide

2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide (PubChem CID 4213770) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
PubChem CID4213770
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
SMILESCC(=CC(=O)c1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4/c1-12(11-16(21)13-7-3-2-4-8-13)18-19-17(22)14-9-5-6-10-15(14)20(23)24/h2-11,18H,1H3,(H,19,22)
InChIKeyOSAISGHZQCUCCN-UHFFFAOYSA-N
XLogP2.62
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.62
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

3-anilino-1-(2-nitrophenyl)but-2-en-1-one
CID 75609464
[(2-nitrobenzoyl)amino]urea
CID 61061190
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 4949721
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
The IUPAC name of 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide (CID 4213770) is 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide.
What is the SMILES notation for 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
The canonical SMILES for 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide is CC(=CC(=O)c1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
The InChIKey is OSAISGHZQCUCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-12(11-16(21)13-7-3-2-4-8-13)18-19-17(22)14-9-5-6-10-15(14)20(23)24/h2-11,18H,1H3,(H,19,22).
What are the key properties of 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide has a molecular weight of 325.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide is sourced from PubChem (CID 4213770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).