1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C19H17BrF3N3O3 — CID 55613825

IUPAC1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C19H17BrF3N3O3/c20-14-5-1-2-6-15(14)26-10-13(8-16(26)27)17(28)25-9-12-4-3-7-24-18(12)29-11-19(21,22)23/h1-7,13H,8-11H2,(H,25,28)
InChIKeyBLGXFJGIXSHLBA-UHFFFAOYSA-N
MW472.26 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55613825) has the molecular formula C19H17BrF3N3O3 and a molecular weight of 472.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55613825
Molecular FormulaC19H17BrF3N3O3
Molecular Weight472.26 g/mol
Exact Mass471.04
IUPAC Name1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C19H17BrF3N3O3/c20-14-5-1-2-6-15(14)26-10-13(8-16(26)27)17(28)25-9-12-4-3-7-24-18(12)29-11-19(21,22)23/h1-7,13H,8-11H2,(H,25,28)
InChIKeyBLGXFJGIXSHLBA-UHFFFAOYSA-N
XLogP3.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 46401120
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
(3R)-1-methyl-5-oxo-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 94186224
1-(2-ethylphenyl)-5-oxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 55934019
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 39562299
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 55613825) is 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1cccnc1OCC(F)(F)F)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is BLGXFJGIXSHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3N3O3/c20-14-5-1-2-6-15(14)26-10-13(8-16(26)27)17(28)25-9-12-4-3-7-24-18(12)29-11-19(21,22)23/h1-7,13H,8-11H2,(H,25,28).
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 472.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55613825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).