N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C13H19F3N2O2 — CID 114609506

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-9(2)6-10(7-19)17-12(20)11-4-3-5-18(11)8-13(14,15)16/h3-5,9-10,19H,6-8H2,1-2H3,(H,17,20)
InChIKeyBESPCPONWQFXBC-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.19
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609506) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114609506
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-9(2)6-10(7-19)17-12(20)11-4-3-5-18(11)8-13(14,15)16/h3-5,9-10,19H,6-8H2,1-2H3,(H,17,20)
InChIKeyBESPCPONWQFXBC-UHFFFAOYSA-N
XLogP2.19
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106353019
5-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]hexanoic acid
CID 114609112
2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]pentanoic acid
CID 114608686
N-(4-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106120552
1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 110008236
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609800
4-amino-4-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 114608621
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
2-hydroxy-3-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608949
4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 61247043

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114609506) is N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CC(C)CC(CO)NC(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is BESPCPONWQFXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-9(2)6-10(7-19)17-12(20)11-4-3-5-18(11)8-13(14,15)16/h3-5,9-10,19H,6-8H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).