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

C17H13N3O5 — CID 26813929

IUPAC3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2ccccc12
InChIInChI=1S/C17H13N3O5/c1-10-11-6-3-5-9-14(11)25-15(10)17(22)19-18-16(21)12-7-2-4-8-13(12)20(23)24/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyFHLGYFPXOAPPSG-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.72
Rot. Bonds3

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

3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 26813929) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID26813929
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2ccccc12
InChIInChI=1S/C17H13N3O5/c1-10-11-6-3-5-9-14(11)25-15(10)17(22)19-18-16(21)12-7-2-4-8-13(12)20(23)24/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyFHLGYFPXOAPPSG-UHFFFAOYSA-N
XLogP2.72
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.72
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-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
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
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
[(2-nitrobenzoyl)amino]urea
CID 61061190
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
CID 24628583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide (CID 26813929) is 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2ccccc12.
What is the InChIKey of 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is FHLGYFPXOAPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-10-11-6-3-5-9-14(11)25-15(10)17(22)19-18-16(21)12-7-2-4-8-13(12)20(23)24/h2-9H,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 339.31 g/mol, XLogP of 2.72, 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-nitrobenzoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 26813929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).