4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide

C18H18N6O7 — CID 4592576

IUPAC4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide
SMILESCCC(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N6O7/c1-2-15(19-20-16(25)11-3-7-13(8-4-11)23(28)29)18(27)22-21-17(26)12-5-9-14(10-6-12)24(30)31/h3-10,15,19H,2H2,1H3,(H,20,25)(H,21,26)(H,22,27)
InChIKeySREZMKBORYZXPU-UHFFFAOYSA-N
MW430.38 g/mol
LogP0.98
Rot. Bonds8

About 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide

4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide (PubChem CID 4592576) has the molecular formula C18H18N6O7 and a molecular weight of 430.38 g/mol. Its IUPAC name is 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide
PubChem CID4592576
Molecular FormulaC18H18N6O7
Molecular Weight430.38 g/mol
Exact Mass430.12
IUPAC Name4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide
SMILESCCC(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N6O7/c1-2-15(19-20-16(25)11-3-7-13(8-4-11)23(28)29)18(27)22-21-17(26)12-5-9-14(10-6-12)24(30)31/h3-10,15,19H,2H2,1H3,(H,20,25)(H,21,26)(H,22,27)
InChIKeySREZMKBORYZXPU-UHFFFAOYSA-N
XLogP0.98
TPSA185.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
CID 4275309
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
propan-2-yl N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 57342828
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3402771
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide (CID 4592576) is 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide is CCC(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide?
The InChIKey is SREZMKBORYZXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O7/c1-2-15(19-20-16(25)11-3-7-13(8-4-11)23(28)29)18(27)22-21-17(26)12-5-9-14(10-6-12)24(30)31/h3-10,15,19H,2H2,1H3,(H,20,25)(H,21,26)(H,22,27).
What are the key properties of 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide?
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide has a molecular weight of 430.38 g/mol, XLogP of 0.98, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide is sourced from PubChem (CID 4592576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).