2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

C18H16BrF3N2O3 — CID 99809686

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C18H16BrF3N2O3/c19-13-3-1-12-6-15(4-2-11(12)5-13)27-9-16(25)23-14-7-17(26)24(8-14)10-18(20,21)22/h1-6,14H,7-10H2,(H,23,25)/t14-/m1/s1
InChIKeyTWWTWYGLFYBFBA-CQSZACIVSA-N
MW445.24 g/mol
LogP3.26
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (PubChem CID 99809686) has the molecular formula C18H16BrF3N2O3 and a molecular weight of 445.24 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID99809686
Molecular FormulaC18H16BrF3N2O3
Molecular Weight445.24 g/mol
Exact Mass444.03
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C18H16BrF3N2O3/c19-13-3-1-12-6-15(4-2-11(12)5-13)27-9-16(25)23-14-7-17(26)24(8-14)10-18(20,21)22/h1-6,14H,7-10H2,(H,23,25)/t14-/m1/s1
InChIKeyTWWTWYGLFYBFBA-CQSZACIVSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 111520552
tert-butyl 3-[[2-[4-bromo-3-(trifluoromethyl)phenoxy]acetyl]amino]azetidine-1-carboxylate
CID 155293583
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide
CID 60612212
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (CID 99809686) is 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is O=C(COc1ccc2cc(Br)ccc2c1)N[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is TWWTWYGLFYBFBA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16BrF3N2O3/c19-13-3-1-12-6-15(4-2-11(12)5-13)27-9-16(25)23-14-7-17(26)24(8-14)10-18(20,21)22/h1-6,14H,7-10H2,(H,23,25)/t14-/m1/s1.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 445.24 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99809686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).