N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H23F3N2O — CID 79362855

IUPACN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1(C)C(CNC(=O)C2(C(F)(F)F)CCNC2)C1(C)C
InChIInChI=1S/C14H23F3N2O/c1-11(2)9(12(11,3)4)7-19-10(20)13(14(15,16)17)5-6-18-8-13/h9,18H,5-8H2,1-4H3,(H,19,20)
InChIKeyXAHYTISSNZZZBJ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.33
Rot. Bonds3

About N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 79362855) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID79362855
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1(C)C(CNC(=O)C2(C(F)(F)F)CCNC2)C1(C)C
InChIInChI=1S/C14H23F3N2O/c1-11(2)9(12(11,3)4)7-19-10(20)13(14(15,16)17)5-6-18-8-13/h9,18H,5-8H2,1-4H3,(H,19,20)
InChIKeyXAHYTISSNZZZBJ-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79082179
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 79362855) is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1(C)C(CNC(=O)C2(C(F)(F)F)CCNC2)C1(C)C.
What is the InChIKey of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XAHYTISSNZZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-11(2)9(12(11,3)4)7-19-10(20)13(14(15,16)17)5-6-18-8-13/h9,18H,5-8H2,1-4H3,(H,19,20).
What are the key properties of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79362855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).