N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide

C18H15FN2O4 — CID 7732767

IUPACN'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c2c1
InChIInChI=1S/C18H15FN2O4/c1-10-14-9-13(24-2)7-8-15(14)25-16(10)18(23)21-20-17(22)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBPVFEDPHEDZMRE-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.96
Rot. Bonds3

About N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide

N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 7732767) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID7732767
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC NameN'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c2c1
InChIInChI=1S/C18H15FN2O4/c1-10-14-9-13(24-2)7-8-15(14)25-16(10)18(23)21-20-17(22)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBPVFEDPHEDZMRE-UHFFFAOYSA-N
XLogP2.96
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 34966522
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090843
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
[2-(4-fluoroanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270348

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (CID 7732767) is N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is COc1ccc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c2c1.
What is the InChIKey of N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is BPVFEDPHEDZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-10-14-9-13(24-2)7-8-15(14)25-16(10)18(23)21-20-17(22)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 342.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 7732767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).