4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C12H15BrFNOS — CID 112692087

IUPAC4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNOS/c1-8(7-17-3)15(2)12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3
InChIKeyNJJDGLXQAUZCMV-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.41
Rot. Bonds4

About 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 112692087) has the molecular formula C12H15BrFNOS and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID112692087
Molecular FormulaC12H15BrFNOS
Molecular Weight320.23 g/mol
Exact Mass319.00
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNOS/c1-8(7-17-3)15(2)12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3
InChIKeyNJJDGLXQAUZCMV-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-one
CID 115788058
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
2-bromo-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-nitrobenzamide
CID 112692035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 112692087) is 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)N(C)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is NJJDGLXQAUZCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNOS/c1-8(7-17-3)15(2)12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 320.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 112692087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).