3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid

C13H9ClFNO3S — CID 114914774

IUPAC3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFNO3S/c1-6-5-20-11(13(18)19)10(6)16-12(17)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyKJDRJIUKINMHMO-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.80
Rot. Bonds3

About 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid

3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914774) has the molecular formula C13H9ClFNO3S and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914774
Molecular FormulaC13H9ClFNO3S
Molecular Weight313.74 g/mol
Exact Mass313.00
IUPAC Name3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFNO3S/c1-6-5-20-11(13(18)19)10(6)16-12(17)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyKJDRJIUKINMHMO-UHFFFAOYSA-N
XLogP3.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914930
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610456
methyl 3-[(2-amino-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914491
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915817
3-[(3-fluoro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914898
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914845
3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 107731465
3-[(3-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914888

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 114914774) is 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is KJDRJIUKINMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3S/c1-6-5-20-11(13(18)19)10(6)16-12(17)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).