N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide

C18H14ClFN2O3 — CID 18872065

IUPACN'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2cc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-10-6-16-13(8-14(10)19)11(9-25-16)7-17(23)21-22-18(24)12-4-2-3-5-15(12)20/h2-6,8-9H,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyHTZVZFJDGGTIPK-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.54
Rot. Bonds3

About N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide

N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide (PubChem CID 18872065) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
PubChem CID18872065
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC NameN'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2cc1Cl
InChIInChI=1S/C18H14ClFN2O3/c1-10-6-16-13(8-14(10)19)11(9-25-16)7-17(23)21-22-18(24)12-4-2-3-5-15(12)20/h2-6,8-9H,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyHTZVZFJDGGTIPK-UHFFFAOYSA-N
XLogP3.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.54
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-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251815
N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872224
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
CID 35931058
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide (CID 18872065) is N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide is Cc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2cc1Cl.
What is the InChIKey of N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
The InChIKey is HTZVZFJDGGTIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-10-6-16-13(8-14(10)19)11(9-25-16)7-17(23)21-22-18(24)12-4-2-3-5-15(12)20/h2-6,8-9H,7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide has a molecular weight of 360.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 18872065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).