3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

C16H15BrClNOS — CID 107951925

IUPAC3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H15BrClNOS/c1-10(11-3-5-15(21-2)6-4-11)19-16(20)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3,(H,19,20)
InChIKeyHOKWYFXLDLBORM-UHFFFAOYSA-N
MW384.73 g/mol
LogP5.32
Rot. Bonds4

About 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 107951925) has the molecular formula C16H15BrClNOS and a molecular weight of 384.73 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID107951925
Molecular FormulaC16H15BrClNOS
Molecular Weight384.73 g/mol
Exact Mass382.97
IUPAC Name3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H15BrClNOS/c1-10(11-3-5-15(21-2)6-4-11)19-16(20)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3,(H,19,20)
InChIKeyHOKWYFXLDLBORM-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.73
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
CID 107952881
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
3-bromo-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 81458325
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625192
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 107951925) is 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is CSc1ccc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is HOKWYFXLDLBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNOS/c1-10(11-3-5-15(21-2)6-4-11)19-16(20)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 384.73 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 107951925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).