N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide

C17H17N3O6 — CID 9401565

IUPACN'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C17H17N3O6/c1-25-14-8-5-12(15(10-14)26-2)9-16(21)18-19-17(22)11-3-6-13(7-4-11)20(23)24/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyANXWVGLPYUSHFR-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.62
Rot. Bonds6

About N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide

N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide (PubChem CID 9401565) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
PubChem CID9401565
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C17H17N3O6/c1-25-14-8-5-12(15(10-14)26-2)9-16(21)18-19-17(22)11-3-6-13(7-4-11)20(23)24/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyANXWVGLPYUSHFR-UHFFFAOYSA-N
XLogP1.62
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
CID 7702979
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-4-nitrobenzohydrazide
CID 9401570
3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
CID 9314825
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 9399882
4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 3388381
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
4-[(2,4-dimethoxyphenyl)methyl-[4-[[4-[(2,4-dimethoxyphenyl)methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoic acid
CID 139194868

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide (CID 9401565) is N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide?
The InChIKey is ANXWVGLPYUSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-25-14-8-5-12(15(10-14)26-2)9-16(21)18-19-17(22)11-3-6-13(7-4-11)20(23)24/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide?
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide has a molecular weight of 359.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 9401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).