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

C13H9BrClNO3S — CID 107937973

IUPAC2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C13H9BrClNO3S/c1-6-2-10(13(18)19)12(20-6)16-11(17)7-3-8(14)5-9(15)4-7/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyOVYKZMOCBUDHIG-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.42
Rot. Bonds3

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

2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 107937973) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID107937973
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Name2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C13H9BrClNO3S/c1-6-2-10(13(18)19)12(20-6)16-11(17)7-3-8(14)5-9(15)4-7/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyOVYKZMOCBUDHIG-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-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673
2-[(4-bromo-2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616323
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 107937973) is 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2cc(Cl)cc(Br)c2)s1.
What is the InChIKey of 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is OVYKZMOCBUDHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c1-6-2-10(13(18)19)12(20-6)16-11(17)7-3-8(14)5-9(15)4-7/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(3-bromo-5-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-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 107937973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).