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

C19H16Cl2N2O3 — CID 18871928

IUPAC2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1cc(C)c2c(CC(=O)NNC(=O)c3ccc(Cl)cc3Cl)coc2c1
InChIInChI=1S/C19H16Cl2N2O3/c1-10-5-11(2)18-12(9-26-16(18)6-10)7-17(24)22-23-19(25)14-4-3-13(20)8-15(14)21/h3-6,8-9H,7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUPPRWKFHVGZGTJ-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.36
Rot. Bonds3

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

2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 18871928) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID18871928
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCc1cc(C)c2c(CC(=O)NNC(=O)c3ccc(Cl)cc3Cl)coc2c1
InChIInChI=1S/C19H16Cl2N2O3/c1-10-5-11(2)18-12(9-26-16(18)6-10)7-17(24)22-23-19(25)14-4-3-13(20)8-15(14)21/h3-6,8-9H,7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUPPRWKFHVGZGTJ-UHFFFAOYSA-N
XLogP4.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.36
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-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872224
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]-2-methoxybenzohydrazide
CID 31956715
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18861355
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 36706576
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (CID 18871928) is 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is Cc1cc(C)c2c(CC(=O)NNC(=O)c3ccc(Cl)cc3Cl)coc2c1.
What is the InChIKey of 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is UPPRWKFHVGZGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-10-5-11(2)18-12(9-26-16(18)6-10)7-17(24)22-23-19(25)14-4-3-13(20)8-15(14)21/h3-6,8-9H,7H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 391.25 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 18871928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).