(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide

C19H17F7N2OSi — CID 162594944

IUPAC(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide
SMILESO=C(NCc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)[C@@H]1C[SiH](F)CN1
InChIInChI=1S/C19H17F7N2OSi/c20-18(21,22)14-5-13(6-15(7-14)19(23,24)25)12-3-1-2-11(4-12)8-27-17(29)16-9-30(26)10-28-16/h1-7,16,28,30H,8-10H2,(H,27,29)/t16-,30?/m0/s1
InChIKeyMDVAJBUVKDJKGB-XSTXYMSBSA-N
MW450.43 g/mol
LogP4.21
Rot. Bonds4

About (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide

(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide (PubChem CID 162594944) has the molecular formula C19H17F7N2OSi and a molecular weight of 450.43 g/mol. Its IUPAC name is (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide
PubChem CID162594944
Molecular FormulaC19H17F7N2OSi
Molecular Weight450.43 g/mol
Exact Mass450.10
IUPAC Name(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide
SMILESO=C(NCc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)[C@@H]1C[SiH](F)CN1
InChIInChI=1S/C19H17F7N2OSi/c20-18(21,22)14-5-13(6-15(7-14)19(23,24)25)12-3-1-2-11(4-12)8-27-17(29)16-9-30(26)10-28-16/h1-7,16,28,30H,8-10H2,(H,27,29)/t16-,30?/m0/s1
InChIKeyMDVAJBUVKDJKGB-XSTXYMSBSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluorocyclopentane-1-carboxamide
CID 118342893
N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide
CID 129157432
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
tert-butyl 2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 123227667
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
(2S)-N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 129157377
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-bromo-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 118222623
N-[[3-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118288752
3-[3-[[(3-fluorocyclobutanecarbonyl)amino]methyl]phenyl]benzoic acid
CID 166317989
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90336602
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide?
The IUPAC name of (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide (CID 162594944) is (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide.
What is the SMILES notation for (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide?
The canonical SMILES for (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide is O=C(NCc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)[C@@H]1C[SiH](F)CN1.
What is the InChIKey of (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide?
The InChIKey is MDVAJBUVKDJKGB-XSTXYMSBSA-N. The full InChI is InChI=1S/C19H17F7N2OSi/c20-18(21,22)14-5-13(6-15(7-14)19(23,24)25)12-3-1-2-11(4-12)8-27-17(29)16-9-30(26)10-28-16/h1-7,16,28,30H,8-10H2,(H,27,29)/t16-,30?/m0/s1.
What are the key properties of (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide?
(5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide has a molecular weight of 450.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluoro-1,3-azasilolidine-5-carboxamide is sourced from PubChem (CID 162594944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).