N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide

C16H14FN3O5 — CID 7965148

IUPACN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14FN3O5/c1-10(25-14-8-4-12(17)5-9-14)15(21)18-19-16(22)11-2-6-13(7-3-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyZLAFLAKIEIPFME-SNVBAGLBSA-N
MW347.30 g/mol
LogP1.96
Rot. Bonds5

About N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide (PubChem CID 7965148) has the molecular formula C16H14FN3O5 and a molecular weight of 347.30 g/mol. Its IUPAC name is N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
PubChem CID7965148
Molecular FormulaC16H14FN3O5
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14FN3O5/c1-10(25-14-8-4-12(17)5-9-14)15(21)18-19-16(22)11-2-6-13(7-3-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyZLAFLAKIEIPFME-SNVBAGLBSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide (CID 7965148) is N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide is C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
The InChIKey is ZLAFLAKIEIPFME-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14FN3O5/c1-10(25-14-8-4-12(17)5-9-14)15(21)18-19-16(22)11-2-6-13(7-3-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/t10-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-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'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 7965148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).