N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

C19H18N2O5 — CID 27685449

IUPACN'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2oc3ccccc3c2C)c1OC
InChIInChI=1S/C19H18N2O5/c1-11-12-7-4-5-9-14(12)26-16(11)19(23)21-20-18(22)13-8-6-10-15(24-2)17(13)25-3/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUAWCKLWMYHZIKL-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.83
Rot. Bonds4

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

N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 27685449) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID27685449
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2oc3ccccc3c2C)c1OC
InChIInChI=1S/C19H18N2O5/c1-11-12-7-4-5-9-14(12)26-16(11)19(23)21-20-18(22)13-8-6-10-15(24-2)17(13)25-3/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUAWCKLWMYHZIKL-UHFFFAOYSA-N
XLogP2.83
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 37338452
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
(2-methoxyphenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 8778402
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 35825702
3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 43048003
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (CID 27685449) is N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is COc1cccc(C(=O)NNC(=O)c2oc3ccccc3c2C)c1OC.
What is the InChIKey of N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is UAWCKLWMYHZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-12-7-4-5-9-14(12)26-16(11)19(23)21-20-18(22)13-8-6-10-15(24-2)17(13)25-3/h4-10H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 354.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27685449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).