N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide

C20H17FN2O3 — CID 17405629

IUPACN'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CC2c2ccccc2F)oc2ccccc12
InChIInChI=1S/C20H17FN2O3/c1-11-12-6-3-5-9-17(12)26-18(11)20(25)23-22-19(24)15-10-14(15)13-7-2-4-8-16(13)21/h2-9,14-15H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFYWRHGHQJZEMBD-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.45
Rot. Bonds3

About N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 17405629) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID17405629
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CC2c2ccccc2F)oc2ccccc12
InChIInChI=1S/C20H17FN2O3/c1-11-12-6-3-5-9-17(12)26-18(11)20(25)23-22-19(24)15-10-14(15)13-7-2-4-8-16(13)21/h2-9,14-15H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFYWRHGHQJZEMBD-UHFFFAOYSA-N
XLogP3.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.45
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-(2-fluorophenyl)cyclopropanecarbonyl]-2-hydroxybenzohydrazide
CID 134009752
N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide
CID 74648803
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
CID 26377118
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46422246
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 46652829
2-fluoro-N-[(2S)-3-methyl-1-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 27685246

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 17405629) is N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)C2CC2c2ccccc2F)oc2ccccc12.
What is the InChIKey of N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is FYWRHGHQJZEMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-11-12-6-3-5-9-17(12)26-18(11)20(25)23-22-19(24)15-10-14(15)13-7-2-4-8-16(13)21/h2-9,14-15H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 352.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 17405629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).