5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide

C23H21F3N2O5 — CID 166073799

IUPAC5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide
SMILESO=C1CCC2(C(=O)Nc3cc(Oc4ccc(C(F)(F)F)cc4)cc4c3OCCO4)CCCN12
InChIInChI=1S/C23H21F3N2O5/c24-23(25,26)14-2-4-15(5-3-14)33-16-12-17(20-18(13-16)31-10-11-32-20)27-21(30)22-7-1-9-28(22)19(29)6-8-22/h2-5,12-13H,1,6-11H2,(H,27,30)
InChIKeyABVZBYQOJNEMHV-UHFFFAOYSA-N
MW462.42 g/mol
LogP4.36
Rot. Bonds4

About 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide

5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide (PubChem CID 166073799) has the molecular formula C23H21F3N2O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide
PubChem CID166073799
Molecular FormulaC23H21F3N2O5
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC Name5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide
SMILESO=C1CCC2(C(=O)Nc3cc(Oc4ccc(C(F)(F)F)cc4)cc4c3OCCO4)CCCN12
InChIInChI=1S/C23H21F3N2O5/c24-23(25,26)14-2-4-15(5-3-14)33-16-12-17(20-18(13-16)31-10-11-32-20)27-21(30)22-7-1-9-28(22)19(29)6-8-22/h2-5,12-13H,1,6-11H2,(H,27,30)
InChIKeyABVZBYQOJNEMHV-UHFFFAOYSA-N
XLogP4.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide with MolForge

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Related Compounds

3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
CID 166073506
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
[4-(trifluoromethyl)phenyl] 12-oxo-1-oxa-4-azacyclododecane-4-carboxylate
CID 162621002
2-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 175994129
5-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55381900
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
8-[4-(trifluoromethyl)phenoxy]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 142503918
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 134037611
6-chloro-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 7668576
[4-(methylamino)phenyl]-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,8-diazaspiro[5.5]undecan-8-yl]methanone
CID 171683984
1-(2,3-dihydro-1-benzofuran-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 11209886

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide?
The IUPAC name of 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide (CID 166073799) is 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide.
What is the SMILES notation for 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide?
The canonical SMILES for 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide is O=C1CCC2(C(=O)Nc3cc(Oc4ccc(C(F)(F)F)cc4)cc4c3OCCO4)CCCN12.
What is the InChIKey of 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide?
The InChIKey is ABVZBYQOJNEMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5/c24-23(25,26)14-2-4-15(5-3-14)33-16-12-17(20-18(13-16)31-10-11-32-20)27-21(30)22-7-1-9-28(22)19(29)6-8-22/h2-5,12-13H,1,6-11H2,(H,27,30).
What are the key properties of 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide?
5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[7-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxamide is sourced from PubChem (CID 166073799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).