5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide

C12H17FN2OS — CID 113487135

IUPAC5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
SMILESCSCCCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2OS/c1-17-7-3-2-6-15-12(16)10-8-9(14)4-5-11(10)13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyAJUUEGSTYSITGU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.28
Rot. Bonds6

About 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide

5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide (PubChem CID 113487135) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
PubChem CID113487135
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
SMILESCSCCCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2OS/c1-17-7-3-2-6-15-12(16)10-8-9(14)4-5-11(10)13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyAJUUEGSTYSITGU-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.28
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

5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide (CID 113487135) is 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide is CSCCCCNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide?
The InChIKey is AJUUEGSTYSITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-17-7-3-2-6-15-12(16)10-8-9(14)4-5-11(10)13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide?
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide has a molecular weight of 256.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 113487135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).