N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide

C16H14FN3O5 — CID 7927393

IUPACN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14FN3O5/c1-10(25-14-8-3-2-7-13(14)17)15(21)18-19-16(22)11-5-4-6-12(9-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/t10-/m0/s1
InChIKeyVKUFLGUKYQYMTF-JTQLQIEISA-N
MW347.30 g/mol
LogP1.96
Rot. Bonds5

About N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide

N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide (PubChem CID 7927393) has the molecular formula C16H14FN3O5 and a molecular weight of 347.30 g/mol. Its IUPAC name is N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
PubChem CID7927393
Molecular FormulaC16H14FN3O5
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14FN3O5/c1-10(25-14-8-3-2-7-13(14)17)15(21)18-19-16(22)11-5-4-6-12(9-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/t10-/m0/s1
InChIKeyVKUFLGUKYQYMTF-JTQLQIEISA-N
XLogP1.96
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide 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 N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide (CID 7927393) is N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is VKUFLGUKYQYMTF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3O5/c1-10(25-14-8-3-2-7-13(14)17)15(21)18-19-16(22)11-5-4-6-12(9-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide?
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 347.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 7927393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).