2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

C16H13Cl2FN2O2S — CID 7910627

IUPAC2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2FN2O2S/c17-10-1-6-14(18)13(9-10)16(23)21-20-15(22)7-8-24-12-4-2-11(19)3-5-12/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyFCLFTNAIUSCAFV-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.08
Rot. Bonds5

About 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 7910627) has the molecular formula C16H13Cl2FN2O2S and a molecular weight of 387.26 g/mol. Its IUPAC name is 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID7910627
Molecular FormulaC16H13Cl2FN2O2S
Molecular Weight387.26 g/mol
Exact Mass386.01
IUPAC Name2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2FN2O2S/c17-10-1-6-14(18)13(9-10)16(23)21-20-15(22)7-8-24-12-4-2-11(19)3-5-12/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyFCLFTNAIUSCAFV-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.08
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

1-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 60609405
3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 2109098
1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 51179265
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651131
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 55916977
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411730
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119384723

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide (CID 7910627) is 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide is O=C(CCSc1ccc(F)cc1)NNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is FCLFTNAIUSCAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2S/c17-10-1-6-14(18)13(9-10)16(23)21-20-15(22)7-8-24-12-4-2-11(19)3-5-12/h1-6,9H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 387.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 7910627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).