3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide

C15H15BrClNOS — CID 107951852

IUPAC3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)c(C)s1
InChIInChI=1S/C15H15BrClNOS/c1-8-4-14(10(3)20-8)9(2)18-15(19)11-5-12(16)7-13(17)6-11/h4-7,9H,1-3H3,(H,18,19)
InChIKeyIWDASDIZJREIMG-UHFFFAOYSA-N
MW372.72 g/mol
LogP5.27
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide

3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide (PubChem CID 107951852) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
PubChem CID107951852
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)c(C)s1
InChIInChI=1S/C15H15BrClNOS/c1-8-4-14(10(3)20-8)9(2)18-15(19)11-5-12(16)7-13(17)6-11/h4-7,9H,1-3H3,(H,18,19)
InChIKeyIWDASDIZJREIMG-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.72
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
4-chloro-N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167663
4-chloro-N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167661
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
methyl 2-[(3-bromo-5-chlorobenzoyl)amino]-3-methylbutanoate
CID 103827001
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107937973

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide (CID 107951852) is 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide is Cc1cc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)c(C)s1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
The InChIKey is IWDASDIZJREIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-8-4-14(10(3)20-8)9(2)18-15(19)11-5-12(16)7-13(17)6-11/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide has a molecular weight of 372.72 g/mol, XLogP of 5.27, 3 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-(2,5-dimethylthiophen-3-yl)ethyl]benzamide is sourced from PubChem (CID 107951852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).