4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

C16H14ClFN2O3 — CID 24638274

IUPAC4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-10(23-14-8-6-13(18)7-9-14)15(21)19-20-16(22)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyBBEQLMDQZFGEPO-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 24638274) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID24638274
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-10(23-14-8-6-13(18)7-9-14)15(21)19-20-16(22)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyBBEQLMDQZFGEPO-UHFFFAOYSA-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

N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
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 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 24638274) is 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is BBEQLMDQZFGEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-10(23-14-8-6-13(18)7-9-14)15(21)19-20-16(22)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide 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 4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 24638274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).