3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide

C13H10BrCl2NOS — CID 60775674

IUPAC3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1sccc1Br
InChIInChI=1S/C13H10BrCl2NOS/c1-17(13(18)12-10(14)4-5-19-12)7-8-2-3-9(15)6-11(8)16/h2-6H,7H2,1H3
InChIKeyJMVVYKWFJYMNGQ-UHFFFAOYSA-N
MW379.11 g/mol
LogP5.09
Rot. Bonds3

About 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide

3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 60775674) has the molecular formula C13H10BrCl2NOS and a molecular weight of 379.11 g/mol. Its IUPAC name is 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID60775674
Molecular FormulaC13H10BrCl2NOS
Molecular Weight379.11 g/mol
Exact Mass376.90
IUPAC Name3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1sccc1Br
InChIInChI=1S/C13H10BrCl2NOS/c1-17(13(18)12-10(14)4-5-19-12)7-8-2-3-9(15)6-11(8)16/h2-6H,7H2,1H3
InChIKeyJMVVYKWFJYMNGQ-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.11
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60960132
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43054352
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 60775674) is 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is JMVVYKWFJYMNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NOS/c1-17(13(18)12-10(14)4-5-19-12)7-8-2-3-9(15)6-11(8)16/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide?
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 379.11 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 60775674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).