3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide

C15H12ClN3O2 — CID 45141747

IUPAC3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)21-14(13)15(20)19-17/h1-8,18H,17H2,(H,19,20)
InChIKeyYKXPKGQUWFZASC-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.43
Rot. Bonds3

About 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide

3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide (PubChem CID 45141747) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide
PubChem CID45141747
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)21-14(13)15(20)19-17/h1-8,18H,17H2,(H,19,20)
InChIKeyYKXPKGQUWFZASC-UHFFFAOYSA-N
XLogP3.43
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 3-(2-chloroanilino)-1-benzofuran-2-carboxylate
CID 45141552
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-(3-chloropropanoylamino)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159781
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
3-[(2,3-dichlorophenyl)sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842675
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
anthracene-9,10-dicarbohydrazide
CID 139611931
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63571784
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide (CID 45141747) is 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide is NNC(=O)c1oc2ccccc2c1Nc1ccccc1Cl.
What is the InChIKey of 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide?
The InChIKey is YKXPKGQUWFZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)21-14(13)15(20)19-17/h1-8,18H,17H2,(H,19,20).
What are the key properties of 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide?
3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide has a molecular weight of 301.73 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 45141747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).