4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C15H15BrClNOS — CID 81307886

IUPAC4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C15H15BrClNOS/c1-9-4-7-14(20-9)10(2)18(3)15(19)11-5-6-12(16)13(17)8-11/h4-8,10H,1-3H3
InChIKeyABLDWLCDWVAOTG-UHFFFAOYSA-N
MW372.72 g/mol
LogP5.31
Rot. Bonds3

About 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 81307886) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID81307886
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C15H15BrClNOS/c1-9-4-7-14(20-9)10(2)18(3)15(19)11-5-6-12(16)13(17)8-11/h4-8,10H,1-3H3
InChIKeyABLDWLCDWVAOTG-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.72
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81472617
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283
3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61116791
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 80979921
4-bromo-3-chloro-N-(1-cyanoethyl)-N-methylbenzamide
CID 81295295
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95263497
4-bromo-3-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 81005730
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115930368
N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 54876858
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 81307886) is 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(Br)c(Cl)c2)s1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is ABLDWLCDWVAOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-9-4-7-14(20-9)10(2)18(3)15(19)11-5-6-12(16)13(17)8-11/h4-8,10H,1-3H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 372.72 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 81307886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).