3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide

C10H12F2N2OS — CID 107121095

IUPAC3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C10H12F2N2OS/c1-16-3-2-14-10(15)7-4-6(11)5-8(13)9(7)12/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyWVYMYXRFJZQIHX-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide

3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide (PubChem CID 107121095) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
PubChem CID107121095
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C10H12F2N2OS/c1-16-3-2-14-10(15)7-4-6(11)5-8(13)9(7)12/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyWVYMYXRFJZQIHX-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161
3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 107120993
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107121045
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-methylsulfanylethyl)benzamide
CID 63958382

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide (CID 107121095) is 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide is CSCCNC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is WVYMYXRFJZQIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c1-16-3-2-14-10(15)7-4-6(11)5-8(13)9(7)12/h4-5H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide?
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 246.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 107121095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).