3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide

C18H16N2O3 — CID 27608073

IUPAC3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C18H16N2O3/c1-11-7-9-13(10-8-11)17(21)19-20-18(22)16-12(2)14-5-3-4-6-15(14)23-16/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyALZPFNHTVNONGT-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.12
Rot. Bonds2

About 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 27608073) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID27608073
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C18H16N2O3/c1-11-7-9-13(10-8-11)17(21)19-20-18(22)16-12(2)14-5-3-4-6-15(14)23-16/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyALZPFNHTVNONGT-UHFFFAOYSA-N
XLogP3.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 27685815
3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685699
1-(3,5-dimethylphenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8001022
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 880265
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
3-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]-1-benzofuran-2-carbohydrazide
CID 30291084

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide (CID 27608073) is 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is ALZPFNHTVNONGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-7-9-13(10-8-11)17(21)19-20-18(22)16-12(2)14-5-3-4-6-15(14)23-16/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide?
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 308.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27608073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).