3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C18H15N3O6 — CID 26873925

IUPAC3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])oc2ccccc12
InChIInChI=1S/C18H15N3O6/c1-11-12-6-2-4-8-14(12)27-17(11)18(23)20-19-16(22)10-26-15-9-5-3-7-13(15)21(24)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyCEBXYBNMBRCMHT-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.49
Rot. Bonds5

About 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 26873925) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID26873925
Molecular FormulaC18H15N3O6
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])oc2ccccc12
InChIInChI=1S/C18H15N3O6/c1-11-12-6-2-4-8-14(12)27-17(11)18(23)20-19-16(22)10-26-15-9-5-3-7-13(15)21(24)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyCEBXYBNMBRCMHT-UHFFFAOYSA-N
XLogP2.49
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.49
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

3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616552

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 26873925) is 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is CEBXYBNMBRCMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-11-12-6-2-4-8-14(12)27-17(11)18(23)20-19-16(22)10-26-15-9-5-3-7-13(15)21(24)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 369.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 26873925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).