1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide

C11H16F2N2O2 — CID 114609622

IUPAC1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cccn1CC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-11(2,17)7-14-10(16)8-4-3-5-15(8)6-9(12)13/h3-5,9,17H,6-7H2,1-2H3,(H,14,16)
InChIKeyABQGOUXBFNEEIV-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.25
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide (PubChem CID 114609622) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
PubChem CID114609622
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cccn1CC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-11(2,17)7-14-10(16)8-4-3-5-15(8)6-9(12)13/h3-5,9,17H,6-7H2,1-2H3,(H,14,16)
InChIKeyABQGOUXBFNEEIV-UHFFFAOYSA-N
XLogP1.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]acetate
CID 114610698
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-2-methylpropanoic acid
CID 114608790
2-[[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114608914
(2S)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 104939909
1-(2,2-difluoroethyl)-N-(3-ethyl-2-hydroxypentyl)pyrrole-2-carboxamide
CID 106287896
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949
N-[(1-aminocyclobutyl)methyl]-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103352552
1-(2,2-difluoroethyl)-N-(1-hydroxypropan-2-yl)pyrrole-2-carboxamide
CID 114609446
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-phenylethyl)pyrrole-2-carboxamide
CID 114609452
1-(2,2-difluoroethyl)-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 114609754
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610593
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide (CID 114609622) is 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide is CC(C)(O)CNC(=O)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
The InChIKey is ABQGOUXBFNEEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-11(2,17)7-14-10(16)8-4-3-5-15(8)6-9(12)13/h3-5,9,17H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).