(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate

C19H19F3N2O3 — CID 53235333

IUPAC(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)27-16-8-6-15(7-9-16)23-18(25)26-17-10-11-24(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,23,25)
InChIKeyBZATXUBOKHAANF-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.41
Rot. Bonds5

About (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate

(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 53235333) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID53235333
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)27-16-8-6-15(7-9-16)23-18(25)26-17-10-11-24(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,23,25)
InChIKeyBZATXUBOKHAANF-UHFFFAOYSA-N
XLogP4.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565228
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16886954
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565230
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
(1S,5S)-3-benzyl-2,2-dioxo-N-[4-(trifluoromethoxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063165
[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl] N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]carbamate
CID 177337459
(1,1,1-trifluoro-3-phenylpropan-2-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2740463
1-[(3-phenoxyphenyl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 118390520

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate (CID 53235333) is (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is BZATXUBOKHAANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)27-16-8-6-15(7-9-16)23-18(25)26-17-10-11-24(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,23,25).
What are the key properties of (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate?
(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 380.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 53235333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).