3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide

C18H15N3O5 — CID 26874015

IUPAC3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2oc3ccccc3c2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O5/c1-10-13(7-5-8-14(10)21(24)25)17(22)19-20-18(23)16-11(2)12-6-3-4-9-15(12)26-16/h3-9H,1-2H3,(H,19,22)(H,20,23)
InChIKeyGCLHELFZPMUOAZ-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide

3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 26874015) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID26874015
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2oc3ccccc3c2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O5/c1-10-13(7-5-8-14(10)21(24)25)17(22)19-20-18(23)16-11(2)12-6-3-4-9-15(12)26-16/h3-9H,1-2H3,(H,19,22)(H,20,23)
InChIKeyGCLHELFZPMUOAZ-UHFFFAOYSA-N
XLogP3.03
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26873925
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 35825702
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9076846
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4089645
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide (CID 26874015) is 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2oc3ccccc3c2C)cccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is GCLHELFZPMUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-10-13(7-5-8-14(10)21(24)25)17(22)19-20-18(23)16-11(2)12-6-3-4-9-15(12)26-16/h3-9H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 353.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 26874015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).