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

C13H9BrClNO3S — CID 107986401

IUPAC5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Br)sc1C(=O)O
InChIInChI=1S/C13H9BrClNO3S/c1-6-4-10(20-11(6)13(18)19)16-12(17)8-3-2-7(15)5-9(8)14/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyGBBOOEMPIMMKFG-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.42
Rot. Bonds3

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

5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 107986401) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID107986401
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Name5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Br)sc1C(=O)O
InChIInChI=1S/C13H9BrClNO3S/c1-6-4-10(20-11(6)13(18)19)16-12(17)8-3-2-7(15)5-9(8)14/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyGBBOOEMPIMMKFG-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

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

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Related Compounds

5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772744
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673
5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 81368112
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 107653080
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
CID 107986716

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 107986401) is 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccc(Cl)cc2Br)sc1C(=O)O.
What is the InChIKey of 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is GBBOOEMPIMMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c1-6-4-10(20-11(6)13(18)19)16-12(17)8-3-2-7(15)5-9(8)14/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-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 5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 107986401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).