N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide

C16H23FN2O3 — CID 127266166

IUPACN'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
SMILESCCN(CCO)NC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C16H23FN2O3/c1-2-19(8-9-20)18-15(21)16(6-10-22-11-7-16)13-4-3-5-14(17)12-13/h3-5,12,20H,2,6-11H2,1H3,(H,18,21)
InChIKeyZDDQWWMZIFVJLB-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.22
Rot. Bonds6

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

N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide (PubChem CID 127266166) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
PubChem CID127266166
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
SMILESCCN(CCO)NC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C16H23FN2O3/c1-2-19(8-9-20)18-15(21)16(6-10-22-11-7-16)13-4-3-5-14(17)12-13/h3-5,12,20H,2,6-11H2,1H3,(H,18,21)
InChIKeyZDDQWWMZIFVJLB-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.22
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

4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111483353
4-(3-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 60582634
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
CID 94669644
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 124589559

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide?
The IUPAC name of N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide (CID 127266166) is N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide.
What is the SMILES notation for N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide?
The canonical SMILES for N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide is CCN(CCO)NC(=O)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide?
The InChIKey is ZDDQWWMZIFVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-19(8-9-20)18-15(21)16(6-10-22-11-7-16)13-4-3-5-14(17)12-13/h3-5,12,20H,2,6-11H2,1H3,(H,18,21).
What are the key properties of N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide?
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide has a molecular weight of 310.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide is sourced from PubChem (CID 127266166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).