N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H23F3N2O2 — CID 106116600

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O2/c1-2-3-10(4-7-19)8-18-11(20)12(13(14,15)16)5-6-17-9-12/h10,17,19H,2-9H2,1H3,(H,18,20)
InChIKeyFDNNYMVFRSHVEN-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106116600) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106116600
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O2/c1-2-3-10(4-7-19)8-18-11(20)12(13(14,15)16)5-6-17-9-12/h10,17,19H,2-9H2,1H3,(H,18,20)
InChIKeyFDNNYMVFRSHVEN-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
CID 106116627
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106116600) is N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCC(CCO)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FDNNYMVFRSHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-3-10(4-7-19)8-18-11(20)12(13(14,15)16)5-6-17-9-12/h10,17,19H,2-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106116600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).