1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide

C13H18F2N2O2 — CID 107483136

IUPAC1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CCC1)N(CCO)CC(F)F
InChIInChI=1S/C13H18F2N2O2/c14-12(15)9-16(7-8-18)13(19)11-5-2-6-17(11)10-3-1-4-10/h2,5-6,10,12,18H,1,3-4,7-9H2
InChIKeyQRLJLFQEIVQWBM-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds6

About 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide

1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide (PubChem CID 107483136) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
PubChem CID107483136
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CCC1)N(CCO)CC(F)F
InChIInChI=1S/C13H18F2N2O2/c14-12(15)9-16(7-8-18)13(19)11-5-2-6-17(11)10-3-1-4-10/h2,5-6,10,12,18H,1,3-4,7-9H2
InChIKeyQRLJLFQEIVQWBM-UHFFFAOYSA-N
XLogP1.91
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide (CID 107483136) is 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide is O=C(c1cccn1C1CCC1)N(CCO)CC(F)F.
What is the InChIKey of 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
The InChIKey is QRLJLFQEIVQWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-12(15)9-16(7-8-18)13(19)11-5-2-6-17(11)10-3-1-4-10/h2,5-6,10,12,18H,1,3-4,7-9H2.
What are the key properties of 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107483136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).