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

C18H16N2O4 — CID 51155700

IUPACN'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C18H16N2O4/c1-11-14-10-13(23-2)8-9-15(14)24-16(11)18(22)20-19-17(21)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWOUDTAANHAIPLH-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.82
Rot. Bonds3

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

N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 51155700) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID51155700
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C18H16N2O4/c1-11-14-10-13(23-2)8-9-15(14)24-16(11)18(22)20-19-17(21)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyWOUDTAANHAIPLH-UHFFFAOYSA-N
XLogP2.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.82
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

5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
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-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (CID 51155700) is N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is COc1ccc2oc(C(=O)NNC(=O)c3ccccc3)c(C)c2c1.
What is the InChIKey of N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is WOUDTAANHAIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-14-10-13(23-2)8-9-15(14)24-16(11)18(22)20-19-17(21)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 324.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 51155700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).