4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide

C17H21FN2O3 — CID 95353416

IUPAC4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide
SMILESC[C@H]1C[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H21FN2O3/c1-11-10-14(11)15(21)19-20-16(22)17(6-8-23-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3,(H,19,21)(H,20,22)/t11-,14+/m0/s1
InChIKeyKMFDUZJDEXAKLV-SMDDNHRTSA-N
MW320.36 g/mol
LogP1.68
Rot. Bonds3

About 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide

4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide (PubChem CID 95353416) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide
PubChem CID95353416
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide
SMILESC[C@H]1C[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H21FN2O3/c1-11-10-14(11)15(21)19-20-16(22)17(6-8-23-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3,(H,19,21)(H,20,22)/t11-,14+/m0/s1
InChIKeyKMFDUZJDEXAKLV-SMDDNHRTSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide (CID 95353416) is 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide is C[C@H]1C[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide?
The InChIKey is KMFDUZJDEXAKLV-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-10-14(11)15(21)19-20-16(22)17(6-8-23-9-7-17)12-2-4-13(18)5-3-12/h2-5,11,14H,6-10H2,1H3,(H,19,21)(H,20,22)/t11-,14+/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide?
4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide has a molecular weight of 320.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide is sourced from PubChem (CID 95353416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).