N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide

C16H14ClFN2O2 — CID 51277577

IUPACN'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
SMILESO=C(CCc1cccc(Cl)c1)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c17-12-5-3-4-11(10-12)8-9-15(21)19-20-16(22)13-6-1-2-7-14(13)18/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyJOTLQTGCXCLMTF-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.87
Rot. Bonds4

About N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide

N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide (PubChem CID 51277577) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
PubChem CID51277577
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
SMILESO=C(CCc1cccc(Cl)c1)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c17-12-5-3-4-11(10-12)8-9-15(21)19-20-16(22)13-6-1-2-7-14(13)18/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyJOTLQTGCXCLMTF-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide 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-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
CID 78829690
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724098
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide (CID 51277577) is N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide is O=C(CCc1cccc(Cl)c1)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is JOTLQTGCXCLMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-12-5-3-4-11(10-12)8-9-15(21)19-20-16(22)13-6-1-2-7-14(13)18/h1-7,10H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide?
N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide has a molecular weight of 320.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 51277577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).