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

C14H21F3N2O2 — CID 107155217

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-13(2,3)7-10(20)8-18-12(21)11-5-4-6-19(11)9-14(15,16)17/h4-6,10,20H,7-9H2,1-3H3,(H,18,21)
InChIKeyVJEVXHFEEVGJLB-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.58
Rot. Bonds5

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

N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 107155217) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID107155217
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-13(2,3)7-10(20)8-18-12(21)11-5-4-6-19(11)9-14(15,16)17/h4-6,10,20H,7-9H2,1-3H3,(H,18,21)
InChIKeyVJEVXHFEEVGJLB-UHFFFAOYSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-4,4-dimethylpentyl)-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

2-hydroxy-3-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608949
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609800
N-(4-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106120552
N-(3-hydroxy-4-methoxybutyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106243525
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106353019
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
N-pent-4-ynyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106223250
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609214
2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]pentanoic acid
CID 114608686
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609506
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 107155217) is N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CC(C)(C)CC(O)CNC(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is VJEVXHFEEVGJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-13(2,3)7-10(20)8-18-12(21)11-5-4-6-19(11)9-14(15,16)17/h4-6,10,20H,7-9H2,1-3H3,(H,18,21).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107155217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).