4-(difluoromethyl)-1H-pyrrole-3-carboxamide

C6H6F2N2O — CID 145390073

IUPAC4-(difluoromethyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c[nH]cc1C(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)3-1-10-2-4(3)6(9)11/h1-2,5,10H,(H2,9,11)
InChIKeySOENWCPRYDMIQK-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.05
Rot. Bonds2

About 4-(difluoromethyl)-1H-pyrrole-3-carboxamide

4-(difluoromethyl)-1H-pyrrole-3-carboxamide (PubChem CID 145390073) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-1H-pyrrole-3-carboxamide
PubChem CID145390073
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-(difluoromethyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c[nH]cc1C(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)3-1-10-2-4(3)6(9)11/h1-2,5,10H,(H2,9,11)
InChIKeySOENWCPRYDMIQK-UHFFFAOYSA-N
XLogP1.05
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-2,3-difluorobenzamide
CID 119005001
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 130100336
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 130083110
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621
2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 119018698
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
5,6-diamino-4-(difluoromethyl)pyridine-2-carboxamide
CID 119003391
2-[2-(difluoromethyl)phenyl]acetamide
CID 175751823
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-1H-pyrrole-3-carboxamide (CID 145390073) is 4-(difluoromethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c[nH]cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is SOENWCPRYDMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-5(8)3-1-10-2-4(3)6(9)11/h1-2,5,10H,(H2,9,11).
What are the key properties of 4-(difluoromethyl)-1H-pyrrole-3-carboxamide?
4-(difluoromethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 160.12 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 145390073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).