N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C11H15F3N2O2 — CID 114609486

IUPACN-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCN(CCO)C(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-2-15(6-7-17)10(18)9-4-3-5-16(9)8-11(12,13)14/h3-5,17H,2,6-8H2,1H3
InChIKeyWRBBNESEXWTFSB-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609486) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114609486
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCN(CCO)C(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-2-15(6-7-17)10(18)9-4-3-5-16(9)8-11(12,13)14/h3-5,17H,2,6-8H2,1H3
InChIKeyWRBBNESEXWTFSB-UHFFFAOYSA-N
XLogP1.50
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
2-[prop-2-ynyl-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]acetic acid
CID 114608986
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610258
N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610281
propyl 1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
CID 114609419
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609800
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114609486) is N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCN(CCO)C(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is WRBBNESEXWTFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-15(6-7-17)10(18)9-4-3-5-16(9)8-11(12,13)14/h3-5,17H,2,6-8H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).