2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide

C16H15FN2O2S — CID 9274402

IUPAC2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
SMILESCSCc1cccc(C(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O2S/c1-22-10-11-5-4-6-12(9-11)15(20)18-19-16(21)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyODKTZBIYHPUMKL-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.76
Rot. Bonds4

About 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide

2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide (PubChem CID 9274402) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
PubChem CID9274402
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
SMILESCSCc1cccc(C(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O2S/c1-22-10-11-5-4-6-12(9-11)15(20)18-19-16(21)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyODKTZBIYHPUMKL-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.76
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

3-(methylsulfanylmethyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 9426198
2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
CID 9327285
N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
CID 115703473
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea
CID 971459
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
3-(methylsulfanylmethyl)benzoate
CID 7129113
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide (CID 9274402) is 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide is CSCc1cccc(C(=O)NNC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide?
The InChIKey is ODKTZBIYHPUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-22-10-11-5-4-6-12(9-11)15(20)18-19-16(21)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide?
2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide has a molecular weight of 318.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 9274402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).