4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide

C17H23FN2O3 — CID 56807132

IUPAC4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
SMILESCCC(C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H23FN2O3/c1-3-12(2)15(21)19-20-16(22)17(7-9-23-10-8-17)13-5-4-6-14(18)11-13/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUJXLVHWUVGUAQV-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.07
Rot. Bonds4

About 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide

4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide (PubChem CID 56807132) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
PubChem CID56807132
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
SMILESCCC(C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H23FN2O3/c1-3-12(2)15(21)19-20-16(22)17(7-9-23-10-8-17)13-5-4-6-14(18)11-13/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUJXLVHWUVGUAQV-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.07
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'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
CID 94669644
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide
CID 71886339
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 60582634
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide?
The IUPAC name of 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide (CID 56807132) is 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide.
What is the SMILES notation for 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide?
The canonical SMILES for 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide is CCC(C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide?
The InChIKey is UJXLVHWUVGUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-3-12(2)15(21)19-20-16(22)17(7-9-23-10-8-17)13-5-4-6-14(18)11-13/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide?
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide has a molecular weight of 322.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide is sourced from PubChem (CID 56807132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).