N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide

C19H16ClFN2O3 — CID 18872224

IUPACN'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2c(C)c1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-10-7-15-17(11(2)18(10)20)12(9-26-15)8-16(24)22-23-19(25)13-5-3-4-6-14(13)21/h3-7,9H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJVUYPVLMRDODLZ-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.85
Rot. Bonds3

About N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide

N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide (PubChem CID 18872224) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
PubChem CID18872224
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2c(C)c1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-10-7-15-17(11(2)18(10)20)12(9-26-15)8-16(24)22-23-19(25)13-5-3-4-6-14(13)21/h3-7,9H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJVUYPVLMRDODLZ-UHFFFAOYSA-N
XLogP3.85
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.85
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

N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251815
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
CID 18872161
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 2984880
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide
CID 18872199
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18872138
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide (CID 18872224) is N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide is Cc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2c(C)c1Cl.
What is the InChIKey of N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
The InChIKey is JVUYPVLMRDODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-10-7-15-17(11(2)18(10)20)12(9-26-15)8-16(24)22-23-19(25)13-5-3-4-6-14(13)21/h3-7,9H,8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide?
N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide has a molecular weight of 374.80 g/mol, XLogP of 3.85, 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-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 18872224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).