N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide

C22H19FN2O2S — CID 9401840

IUPACN'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C22H19FN2O2S/c23-19-14-8-7-13-18(19)22(27)25-24-20(26)15-28-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyNXSQTZFJKPGOJI-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.11
Rot. Bonds6

About N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide

N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide (PubChem CID 9401840) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
PubChem CID9401840
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C22H19FN2O2S/c23-19-14-8-7-13-18(19)22(27)25-24-20(26)15-28-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyNXSQTZFJKPGOJI-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.11
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'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
CID 9339375
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
CID 2093520
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
CID 7134044
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide?
The IUPAC name of N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide (CID 9401840) is N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide?
The canonical SMILES for N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide is O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide?
The InChIKey is NXSQTZFJKPGOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-19-14-8-7-13-18(19)22(27)25-24-20(26)15-28-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27).
What are the key properties of N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide?
N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide has a molecular weight of 394.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide is sourced from PubChem (CID 9401840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).