5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide

C15H17FN2O3 — CID 17441780

IUPAC5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CC(C)C)oc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O3/c1-8(2)6-13(19)17-18-15(20)14-9(3)11-7-10(16)4-5-12(11)21-14/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUFUGCYLUKVHTSG-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.69
Rot. Bonds3

About 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide

5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 17441780) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
PubChem CID17441780
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CC(C)C)oc2ccc(F)cc12
InChIInChI=1S/C15H17FN2O3/c1-8(2)6-13(19)17-18-15(20)14-9(3)11-7-10(16)4-5-12(11)21-14/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUFUGCYLUKVHTSG-UHFFFAOYSA-N
XLogP2.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.69
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-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
5-fluoro-3-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 24502823
5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 34966522
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81085318
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
CID 120702425
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide
CID 43017989

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide (CID 17441780) is 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)CC(C)C)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is UFUGCYLUKVHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8(2)6-13(19)17-18-15(20)14-9(3)11-7-10(16)4-5-12(11)21-14/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide?
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 292.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 17441780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).