3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide

C16H17N3O6 — CID 3705652

IUPAC3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
SMILESCOc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O6/c1-23-13-8-10(9-14(24-2)15(13)25-3)16(20)18-17-11-4-6-12(7-5-11)19(21)22/h4-9,17H,1-3H3,(H,18,20)
InChIKeyHIUPEKVVWBAMKG-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.38
Rot. Bonds7

About 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide

3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide (PubChem CID 3705652) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
PubChem CID3705652
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
SMILESCOc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O6/c1-23-13-8-10(9-14(24-2)15(13)25-3)16(20)18-17-11-4-6-12(7-5-11)19(21)22/h4-9,17H,1-3H3,(H,18,20)
InChIKeyHIUPEKVVWBAMKG-UHFFFAOYSA-N
XLogP2.38
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
CID 5154255
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
CID 141450120
(E)-4-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)but-3-en-2-one
CID 53329968
2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
CID 4682607
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
CID 4152971
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide (CID 3705652) is 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide is COc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide?
The InChIKey is HIUPEKVVWBAMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-23-13-8-10(9-14(24-2)15(13)25-3)16(20)18-17-11-4-6-12(7-5-11)19(21)22/h4-9,17H,1-3H3,(H,18,20).
What are the key properties of 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide?
3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide has a molecular weight of 347.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 3705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).