N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite

C107H93BrF13N11O8S — CID 160516156

IUPACN-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
SMILESCC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(Br)ccn1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1
InChIInChI=1S/3C27H24F3N3O2.C25H18BrF3N2O2.CH3FS/c3*1-17(24-16-21(33(2)3)13-14-31-24)32-26(34)19-7-12-23-18(15-19)5-4-6-25(23)35-22-10-8-20(9-11-22)27(28,29)30;1-15(22-14-19(26)11-12-30-22)31-24(32)17-5-10-21-16(13-17)3-2-4-23(21)33-20-8-6-18(7-9-20)25(27,28)29;1-3-2/h3*4-17H,1-3H3,(H,32,34);2-15H,1H3,(H,31,32);1H3/t2*17-;;;/m10.../s1
InChIKeyQTRJZVOIAPUECO-POMOXLBYSA-N
MW2019.93 g/mol
LogP28.34
Rot. Bonds23

About N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite

N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite (PubChem CID 160516156) has the molecular formula C107H93BrF13N11O8S and a molecular weight of 2019.93 g/mol. Its IUPAC name is N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite.

Molecular Properties

Compound NameN-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
PubChem CID160516156
Molecular FormulaC107H93BrF13N11O8S
Molecular Weight2019.93 g/mol
Exact Mass2017.59
IUPAC NameN-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
SMILESCC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(Br)ccn1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1
InChIInChI=1S/3C27H24F3N3O2.C25H18BrF3N2O2.CH3FS/c3*1-17(24-16-21(33(2)3)13-14-31-24)32-26(34)19-7-12-23-18(15-19)5-4-6-25(23)35-22-10-8-20(9-11-22)27(28,29)30;1-15(22-14-19(26)11-12-30-22)31-24(32)17-5-10-21-16(13-17)3-2-4-23(21)33-20-8-6-18(7-9-20)25(27,28)29;1-3-2/h3*4-17H,1-3H3,(H,32,34);2-15H,1H3,(H,31,32);1H3/t2*17-;;;/m10.../s1
InChIKeyQTRJZVOIAPUECO-POMOXLBYSA-N
XLogP28.34
TPSA214.60 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.93
LogP ≤ 528.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite with MolForge

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Related Compounds

N-[1-(4-bromopyridin-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214095
N-[(1S)-1-[4-(dimethylamino)pyridin-2-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214108
(S)-N-(1-(4-aminopyridin-2-yl)ethyl)-5-(4-(trifluoromethyl)phenoxy)-2-naphthamide
CID 155214190
(R)-N-(1-(4-aminopyridin-2-yl)ethyl)-5-(4-(trifluoromethyl)phenoxy)-2-naphthamide
CID 155214247
N-[(1R)-1-[4-(dimethylamino)pyridin-2-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214041
N-[1-[4-(dimethylamino)pyridin-2-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213913
N-[1-(4-aminopyridin-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214055
N-[2-(4-bromopyridin-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155254814
N-[1-(4-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;ethane
CID 155713237
N-[1-(6-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[6-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[6-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
CID 157778588
N-[(1R)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
CID 158373439
N-[(1R)-1-(4-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(4-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(4-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
CID 158840441

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite?
The IUPAC name of N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite (CID 160516156) is N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite.
What is the SMILES notation for N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite?
The canonical SMILES for N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite is CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(Br)ccn1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.
What is the InChIKey of N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite?
The InChIKey is QTRJZVOIAPUECO-POMOXLBYSA-N. The full InChI is InChI=1S/3C27H24F3N3O2.C25H18BrF3N2O2.CH3FS/c3*1-17(24-16-21(33(2)3)13-14-31-24)32-26(34)19-7-12-23-18(15-19)5-4-6-25(23)35-22-10-8-20(9-11-22)27(28,29)30;1-15(22-14-19(26)11-12-30-22)31-24(32)17-5-10-21-16(13-17)3-2-4-23(21)33-20-8-6-18(7-9-20)25(27,28)29;1-3-2/h3*4-17H,1-3H3,(H,32,34);2-15H,1H3,(H,31,32);1H3/t2*17-;;;/m10.../s1.
What are the key properties of N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite?
N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite has a molecular weight of 2019.93 g/mol, XLogP of 28.34, 23 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1R)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite is sourced from PubChem (CID 160516156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).