2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C19H14F3NO3 — CID 21084723

IUPAC2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2c(F)cc(-c3ccccc3F)cc2F)CCC1
InChIInChI=1S/C19H14F3NO3/c20-14-7-2-1-4-11(14)10-8-15(21)17(16(22)9-10)23-18(24)12-5-3-6-13(12)19(25)26/h1-2,4,7-9H,3,5-6H2,(H,23,24)(H,25,26)
InChIKeyVECFXAQXMBOVIW-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.27
Rot. Bonds4

About 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084723) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084723
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2c(F)cc(-c3ccccc3F)cc2F)CCC1
InChIInChI=1S/C19H14F3NO3/c20-14-7-2-1-4-11(14)10-8-15(21)17(16(22)9-10)23-18(24)12-5-3-6-13(12)19(25)26/h1-2,4,7-9H,3,5-6H2,(H,23,24)(H,25,26)
InChIKeyVECFXAQXMBOVIW-UHFFFAOYSA-N
XLogP4.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084723) is 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3ccccc3F)cc2F)CCC1.
What is the InChIKey of 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is VECFXAQXMBOVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c20-14-7-2-1-4-11(14)10-8-15(21)17(16(22)9-10)23-18(24)12-5-3-6-13(12)19(25)26/h1-2,4,7-9H,3,5-6H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).