3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

C14H13BrClNOS — CID 113329880

IUPAC3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClNOS/c1-9(13-4-3-7-19-13)17(2)14(18)10-5-6-12(16)11(15)8-10/h3-9H,1-2H3
InChIKeyXBQPPVNCHORHIY-UHFFFAOYSA-N
MW358.69 g/mol
LogP5.00
Rot. Bonds3

About 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 113329880) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID113329880
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC Name3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClNOS/c1-9(13-4-3-7-19-13)17(2)14(18)10-5-6-12(16)11(15)8-10/h3-9H,1-2H3
InChIKeyXBQPPVNCHORHIY-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123
3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 107999475
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 42923047
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023
N-methyl-4-oxo-2-sulfanylidene-N-[(1S)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 52536131
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 83230279
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (CID 113329880) is 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is CC(c1cccs1)N(C)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is XBQPPVNCHORHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c1-9(13-4-3-7-19-13)17(2)14(18)10-5-6-12(16)11(15)8-10/h3-9H,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 358.69 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 113329880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).