N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C24H17N3O3 — CID 35825702

IUPACN'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)oc2ccccc12
InChIInChI=1S/C24H17N3O3/c1-15-17-9-6-7-13-21(17)30-22(15)24(29)27-26-23(28)20-12-5-4-11-19(20)18-10-3-2-8-16(18)14-25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyILTDULPDONETMP-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.35
Rot. Bonds3

About N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 35825702) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID35825702
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)oc2ccccc12
InChIInChI=1S/C24H17N3O3/c1-15-17-9-6-7-13-21(17)30-22(15)24(29)27-26-23(28)20-12-5-4-11-19(20)18-10-3-2-8-16(18)14-25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyILTDULPDONETMP-UHFFFAOYSA-N
XLogP4.35
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 35825702) is N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2-c2ccccc2C#N)oc2ccccc12.
What is the InChIKey of N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is ILTDULPDONETMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c1-15-17-9-6-7-13-21(17)30-22(15)24(29)27-26-23(28)20-12-5-4-11-19(20)18-10-3-2-8-16(18)14-25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 395.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 35825702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).