3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide

C14H13F2N3OS — CID 63186134

IUPAC3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cc(F)c(NN)c(F)c2)c1
InChIInChI=1S/C14H13F2N3OS/c1-21-10-4-2-3-9(7-10)18-14(20)8-5-11(15)13(19-17)12(16)6-8/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyLZBKLGDHLDQRLU-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.22
Rot. Bonds4

About 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide

3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 63186134) has the molecular formula C14H13F2N3OS and a molecular weight of 309.34 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
PubChem CID63186134
Molecular FormulaC14H13F2N3OS
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cc(F)c(NN)c(F)c2)c1
InChIInChI=1S/C14H13F2N3OS/c1-21-10-4-2-3-9(7-10)18-14(20)8-5-11(15)13(19-17)12(16)6-8/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyLZBKLGDHLDQRLU-UHFFFAOYSA-N
XLogP3.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-(3-fluorophenyl)-4-hydrazinylbenzamide
CID 63186687
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
3,5-difluoro-4-hydrazinyl-N-pyridin-3-ylbenzamide
CID 55158095
5-chloro-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 62235361
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186135
N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 65499076

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide (CID 63186134) is 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cc(F)c(NN)c(F)c2)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is LZBKLGDHLDQRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3OS/c1-21-10-4-2-3-9(7-10)18-14(20)8-5-11(15)13(19-17)12(16)6-8/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide?
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 63186134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).