N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide

C14H11BrFNOS — CID 113245194

IUPACN-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H11BrFNOS/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyBFFPLJBBPAQPJI-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.56
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide

N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide (PubChem CID 113245194) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
PubChem CID113245194
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H11BrFNOS/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyBFFPLJBBPAQPJI-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

4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
CID 47421930
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide (CID 113245194) is N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide?
The InChIKey is BFFPLJBBPAQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide?
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide 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 N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 113245194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).