2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide

C13H17FN2OS — CID 114116099

IUPAC2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2cccc(F)c2N)CCC1
InChIInChI=1S/C13H17FN2OS/c1-18-13(6-3-7-13)8-16-12(17)9-4-2-5-10(14)11(9)15/h2,4-5H,3,6-8,15H2,1H3,(H,16,17)
InChIKeyRHVIKDAVRILQNK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.42
Rot. Bonds4

About 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide

2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide (PubChem CID 114116099) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
PubChem CID114116099
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2cccc(F)c2N)CCC1
InChIInChI=1S/C13H17FN2OS/c1-18-13(6-3-7-13)8-16-12(17)9-4-2-5-10(14)11(9)15/h2,4-5H,3,6-8,15H2,1H3,(H,16,17)
InChIKeyRHVIKDAVRILQNK-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
CID 114115942
1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
CID 107299334
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 114117442
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2,6-difluoro-N-[(1-methylsulfanylcyclobutyl)methyl]-3-nitrobenzamide
CID 107299298
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
The IUPAC name of 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide (CID 114116099) is 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide is CSC1(CNC(=O)c2cccc(F)c2N)CCC1.
What is the InChIKey of 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
The InChIKey is RHVIKDAVRILQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-18-13(6-3-7-13)8-16-12(17)9-4-2-5-10(14)11(9)15/h2,4-5H,3,6-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 114116099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).