2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C12H17FN2OS — CID 63962308

IUPAC2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C12H17FN2OS/c1-8(7-17-2)6-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyXQALNELJPNDBBR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide

2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 63962308) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID63962308
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C12H17FN2OS/c1-8(7-17-2)6-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyXQALNELJPNDBBR-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.14
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-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114116099
N-(2-methyl-3-methylsulfanylpropyl)-1H-indole-4-carboxamide
CID 63960321
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 63962308) is 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)CNC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is XQALNELJPNDBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-8(7-17-2)6-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 256.35 g/mol, XLogP of 2.14, 5 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-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63962308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).