methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate

C13H9ClFNO3S — CID 6470591

IUPACmethyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H9ClFNO3S/c1-19-13(18)11-10(4-5-20-11)16-12(17)8-3-2-7(15)6-9(8)14/h2-6H,1H3,(H,16,17)
InChIKeySSYURFYBLKIYQQ-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.58
Rot. Bonds3

About methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate (PubChem CID 6470591) has the molecular formula C13H9ClFNO3S and a molecular weight of 313.74 g/mol. Its IUPAC name is methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
PubChem CID6470591
Molecular FormulaC13H9ClFNO3S
Molecular Weight313.74 g/mol
Exact Mass313.00
IUPAC Namemethyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H9ClFNO3S/c1-19-13(18)11-10(4-5-20-11)16-12(17)8-3-2-7(15)6-9(8)14/h2-6H,1H3,(H,16,17)
InChIKeySSYURFYBLKIYQQ-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-amino-2-chlorobenzoyl)amino]thiophene-2-carboxylate
CID 29008479
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
CID 26704872
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate (CID 6470591) is methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is SSYURFYBLKIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3S/c1-19-13(18)11-10(4-5-20-11)16-12(17)8-3-2-7(15)6-9(8)14/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 313.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 6470591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).