2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid

C13H9BrClNO3S — CID 107986673

IUPAC2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Br)s1
InChIInChI=1S/C13H9BrClNO3S/c1-6-4-9(13(18)19)12(20-6)16-11(17)8-3-2-7(15)5-10(8)14/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyMCWDHVPUMDLAAW-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.42
Rot. Bonds3

About 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid

2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 107986673) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID107986673
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Name2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Br)s1
InChIInChI=1S/C13H9BrClNO3S/c1-6-4-9(13(18)19)12(20-6)16-11(17)8-3-2-7(15)5-10(8)14/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyMCWDHVPUMDLAAW-UHFFFAOYSA-N
XLogP4.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
2-[(4-bromo-2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616323
2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107937973
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616313
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 107986673) is 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Br)s1.
What is the InChIKey of 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is MCWDHVPUMDLAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c1-6-4-9(13(18)19)12(20-6)16-11(17)8-3-2-7(15)5-10(8)14/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 374.64 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 107986673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).