2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide

C11H8F2N2O — CID 123993310

IUPAC2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O/c12-6-1-2-7(9(13)5-6)10-8(11(14)16)3-4-15-10/h1-5,15H,(H2,14,16)
InChIKeyOOALFNXDDCYKPW-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.06
Rot. Bonds2

About 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide

2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 123993310) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID123993310
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O/c12-6-1-2-7(9(13)5-6)10-8(11(14)16)3-4-15-10/h1-5,15H,(H2,14,16)
InChIKeyOOALFNXDDCYKPW-UHFFFAOYSA-N
XLogP2.06
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide (CID 123993310) is 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OOALFNXDDCYKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-6-1-2-7(9(13)5-6)10-8(11(14)16)3-4-15-10/h1-5,15H,(H2,14,16).
What are the key properties of 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 123993310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).