5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide

C17H16N2O3 — CID 78774610

IUPAC5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNc3ccccc3)c(C)c2c1
InChIInChI=1S/C17H16N2O3/c1-11-14-10-13(21-2)8-9-15(14)22-16(11)17(20)19-18-12-6-4-3-5-7-12/h3-10,18H,1-2H3,(H,19,20)
InChIKeyQWRXDNXZJBFDCK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.51
Rot. Bonds4

About 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide

5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide (PubChem CID 78774610) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
PubChem CID78774610
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNc3ccccc3)c(C)c2c1
InChIInChI=1S/C17H16N2O3/c1-11-14-10-13(21-2)8-9-15(14)22-16(11)17(20)19-18-12-6-4-3-5-7-12/h3-10,18H,1-2H3,(H,19,20)
InChIKeyQWRXDNXZJBFDCK-UHFFFAOYSA-N
XLogP3.51
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090843
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide (CID 78774610) is 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide is COc1ccc2oc(C(=O)NNc3ccccc3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide?
The InChIKey is QWRXDNXZJBFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-14-10-13(21-2)8-9-15(14)22-16(11)17(20)19-18-12-6-4-3-5-7-12/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide?
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide has a molecular weight of 296.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 78774610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).