4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide

C15H19FN2O4 — CID 47080643

IUPAC4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
SMILESCC(OCC1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4/c1-10(22-9-13-3-2-8-21-13)14(19)17-18-15(20)11-4-6-12(16)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyQAMPMQJGYGEIAD-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.17
Rot. Bonds5

About 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide

4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide (PubChem CID 47080643) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
PubChem CID47080643
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
SMILESCC(OCC1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4/c1-10(22-9-13-3-2-8-21-13)14(19)17-18-15(20)11-4-6-12(16)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyQAMPMQJGYGEIAD-UHFFFAOYSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 98762105
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95281098
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide (CID 47080643) is 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide is CC(OCC1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide?
The InChIKey is QAMPMQJGYGEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-10(22-9-13-3-2-8-21-13)14(19)17-18-15(20)11-4-6-12(16)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide?
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide has a molecular weight of 310.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 47080643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).