4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide

C11H13BrFNOS — CID 115759502

IUPAC4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
SMILESCSC(C)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNOS/c1-7(16-2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyIMXDWCDELWELOZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.07
Rot. Bonds4

About 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide

4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide (PubChem CID 115759502) has the molecular formula C11H13BrFNOS and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
PubChem CID115759502
Molecular FormulaC11H13BrFNOS
Molecular Weight306.20 g/mol
Exact Mass304.99
IUPAC Name4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
SMILESCSC(C)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNOS/c1-7(16-2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyIMXDWCDELWELOZ-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
3-bromo-4-methoxy-N-(2-methylsulfanylpropyl)benzamide
CID 115759468
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide (CID 115759502) is 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide is CSC(C)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide?
The InChIKey is IMXDWCDELWELOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNOS/c1-7(16-2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide?
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide has a molecular weight of 306.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 115759502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).