N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C11H15F3N2O2 — CID 104940018

IUPACN-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-2-8(6-17)15-10(18)9-4-3-5-16(9)7-11(12,13)14/h3-5,8,17H,2,6-7H2,1H3,(H,15,18)/t8-/m1/s1
InChIKeyBIUCCRYITGSVFF-MRVPVSSYSA-N
MW264.25 g/mol
LogP1.55
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 104940018) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID104940018
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-2-8(6-17)15-10(18)9-4-3-5-16(9)7-11(12,13)14/h3-5,8,17H,2,6-7H2,1H3,(H,15,18)/t8-/m1/s1
InChIKeyBIUCCRYITGSVFF-MRVPVSSYSA-N
XLogP1.55
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609506
2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]pentanoic acid
CID 114608686
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106353019
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609800
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
5-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]hexanoic acid
CID 114609112
4-amino-4-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 114608621
2-hydroxy-3-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608949
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609486
N-(4-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114696598
N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 107155217
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 107863497

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 104940018) is N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CC[C@H](CO)NC(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is BIUCCRYITGSVFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-8(6-17)15-10(18)9-4-3-5-16(9)7-11(12,13)14/h3-5,8,17H,2,6-7H2,1H3,(H,15,18)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 104940018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).