2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid

C12H8ClFN2O3S — CID 63113787

IUPAC2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1F)Nc1sccc1C(=O)O
InChIInChI=1S/C12H8ClFN2O3S/c13-6-1-2-9(8(14)5-6)15-12(19)16-10-7(11(17)18)3-4-20-10/h1-5H,(H,17,18)(H2,15,16,19)
InChIKeyQWMSUJHDUWWJSM-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.88
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63113787) has the molecular formula C12H8ClFN2O3S and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63113787
Molecular FormulaC12H8ClFN2O3S
Molecular Weight314.73 g/mol
Exact Mass313.99
IUPAC Name2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1F)Nc1sccc1C(=O)O
InChIInChI=1S/C12H8ClFN2O3S/c13-6-1-2-9(8(14)5-6)15-12(19)16-10-7(11(17)18)3-4-20-10/h1-5H,(H,17,18)(H2,15,16,19)
InChIKeyQWMSUJHDUWWJSM-UHFFFAOYSA-N
XLogP3.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113969
2-[(2,3,4-trifluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113570
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 102854176
2-[(3-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113495
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
2-[(4-bromo-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113553
2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 55179434
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814
(E)-4-[(4-chloro-2-fluorophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 109374324

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63113787) is 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid is O=C(Nc1ccc(Cl)cc1F)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is QWMSUJHDUWWJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3S/c13-6-1-2-9(8(14)5-6)15-12(19)16-10-7(11(17)18)3-4-20-10/h1-5H,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 314.73 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).