N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide

C16H13F3N2O3S — CID 100994103

IUPACN'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1ccc(SC(F)(F)F)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13F3N2O3S/c17-16(18,19)25-13-8-6-12(7-9-13)24-10-14(22)20-21-15(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeySCMYQUZGTREVRW-UHFFFAOYSA-N
MW370.35 g/mol
LogP3.14
Rot. Bonds5

About N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide

N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide (PubChem CID 100994103) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
PubChem CID100994103
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC NameN'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
SMILESO=C(COc1ccc(SC(F)(F)F)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13F3N2O3S/c17-16(18,19)25-13-8-6-12(7-9-13)24-10-14(22)20-21-15(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeySCMYQUZGTREVRW-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
CID 2800846
methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate
CID 2800845
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 17393067
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 43044114

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide (CID 100994103) is N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide is O=C(COc1ccc(SC(F)(F)F)cc1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide?
The InChIKey is SCMYQUZGTREVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c17-16(18,19)25-13-8-6-12(7-9-13)24-10-14(22)20-21-15(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide?
N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide has a molecular weight of 370.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 100994103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).