2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide

C19H17ClN2O3 — CID 18871924

IUPAC2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1cc(C)c2c(CC(=O)NNC(=O)c3ccccc3Cl)coc2c1
InChIInChI=1S/C19H17ClN2O3/c1-11-7-12(2)18-13(10-25-16(18)8-11)9-17(23)21-22-19(24)14-5-3-4-6-15(14)20/h3-8,10H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVMKGFOWVPBIIMT-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 18871924) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID18871924
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1cc(C)c2c(CC(=O)NNC(=O)c3ccccc3Cl)coc2c1
InChIInChI=1S/C19H17ClN2O3/c1-11-7-12(2)18-13(10-25-16(18)8-11)9-17(23)21-22-19(24)14-5-3-4-6-15(14)20/h3-8,10H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVMKGFOWVPBIIMT-UHFFFAOYSA-N
XLogP3.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.71
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

2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872224
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
CID 35931058
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (CID 18871924) is 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is Cc1cc(C)c2c(CC(=O)NNC(=O)c3ccccc3Cl)coc2c1.
What is the InChIKey of 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is VMKGFOWVPBIIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-7-12(2)18-13(10-25-16(18)8-11)9-17(23)21-22-19(24)14-5-3-4-6-15(14)20/h3-8,10H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 356.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 18871924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).