4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid

C19H13F2NO3S — CID 69285824

IUPAC4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H13F2NO3S/c1-10-13(9-16(26-10)19(24)25)11-5-7-12(8-6-11)22-18(23)17-14(20)3-2-4-15(17)21/h2-9H,1H3,(H,22,23)(H,24,25)
InChIKeyLLELOXORIDIKSH-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.95
Rot. Bonds4

About 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid

4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 69285824) has the molecular formula C19H13F2NO3S and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid
PubChem CID69285824
Molecular FormulaC19H13F2NO3S
Molecular Weight373.38 g/mol
Exact Mass373.06
IUPAC Name4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H13F2NO3S/c1-10-13(9-16(26-10)19(24)25)11-5-7-12(8-6-11)22-18(23)17-14(20)3-2-4-15(17)21/h2-9H,1H3,(H,22,23)(H,24,25)
InChIKeyLLELOXORIDIKSH-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid (CID 69285824) is 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is LLELOXORIDIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3S/c1-10-13(9-16(26-10)19(24)25)11-5-7-12(8-6-11)22-18(23)17-14(20)3-2-4-15(17)21/h2-9H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid?
4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 69285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).