N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

C12H13F3N2O2 — CID 47201193

IUPACN-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-2-1-5-9(10)16-11(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8H2,(H,16,18)
InChIKeyGTPWSYDCDJMIEL-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.21
Rot. Bonds2

About N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47201193) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID47201193
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-2-1-5-9(10)16-11(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8H2,(H,16,18)
InChIKeyGTPWSYDCDJMIEL-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 47016115
(3S,4S)-1-[[2-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122075015
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 58899714
tert-butyl N-methyl-N-[[1-[[2-(trifluoromethoxy)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519300
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122340812
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
4-benzoyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112825360
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122337678
4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122339942
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (CID 47201193) is N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)N1CCCC1.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is GTPWSYDCDJMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-2-1-5-9(10)16-11(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8H2,(H,16,18).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47201193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).