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

C12H13F3N2O2 — CID 18072094

IUPACN-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCCN1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-2-1-4-8(10)17-11(18)9-5-3-7-16-9/h1-2,4,6,9,16H,3,5,7H2,(H,17,18)
InChIKeyINAHSOPKGIIPAR-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.28
Rot. Bonds3

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

N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 18072094) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID18072094
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCCN1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-2-1-4-8(10)17-11(18)9-5-3-7-16-9/h1-2,4,6,9,16H,3,5,7H2,(H,17,18)
InChIKeyINAHSOPKGIIPAR-UHFFFAOYSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315216

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (CID 18072094) is N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CCCN1.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is INAHSOPKGIIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-2-1-4-8(10)17-11(18)9-5-3-7-16-9/h1-2,4,6,9,16H,3,5,7H2,(H,17,18).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 18072094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).