N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

C12H13F3N2O2 — CID 47193651

IUPACN-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-5-3-9(4-6-10)16-11(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2,(H,16,18)
InChIKeyQMFIBQZIBQIFNN-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.21
Rot. Bonds2

About N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47193651) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID47193651
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-5-3-9(4-6-10)16-11(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2,(H,16,18)
InChIKeyQMFIBQZIBQIFNN-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

(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
[4-(piperidine-1-carbonylamino)phenyl] hypofluorite
CID 71166566
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
N-[3-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111076648
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122344063

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (CID 47193651) is N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QMFIBQZIBQIFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-5-3-9(4-6-10)16-11(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2,(H,16,18).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
N-[4-(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-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47193651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).