N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide

C16H14ClFN2O3 — CID 684854

IUPACN'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-10(23-14-8-4-12(17)5-9-14)15(21)19-20-16(22)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyJSQAEXXPPWZOBG-JTQLQIEISA-N
MW336.75 g/mol
LogP2.71
Rot. Bonds4

About N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide

N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide (PubChem CID 684854) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
PubChem CID684854
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC NameN'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-10(23-14-8-4-12(17)5-9-14)15(21)19-20-16(22)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyJSQAEXXPPWZOBG-JTQLQIEISA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 43070007
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide (CID 684854) is N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide?
The InChIKey is JSQAEXXPPWZOBG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-10(23-14-8-4-12(17)5-9-14)15(21)19-20-16(22)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide?
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide has a molecular weight of 336.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 684854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).