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

C14H11BrFNOS — CID 9072559

IUPAC4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H11BrFNOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyGVWHMUNIEMSTIP-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.56
Rot. Bonds3

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

4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 9072559) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
PubChem CID9072559
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC Name4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H11BrFNOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyGVWHMUNIEMSTIP-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
1-(4-bromo-2-fluorophenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53489060
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide (CID 9072559) is 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is GVWHMUNIEMSTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide?
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 340.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9072559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).