N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide

C22H21F3N2O2 — CID 68760879

IUPACN-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2cc(Nc3ccc(OCC(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C22H21F3N2O2/c1-15(28)26-11-10-16-2-3-18-13-20(5-4-17(18)12-16)27-19-6-8-21(9-7-19)29-14-22(23,24)25/h2-9,12-13,27H,10-11,14H2,1H3,(H,26,28)
InChIKeyHXXYIDVHINHLIK-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.20
Rot. Bonds7

About N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide

N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide (PubChem CID 68760879) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
PubChem CID68760879
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2cc(Nc3ccc(OCC(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C22H21F3N2O2/c1-15(28)26-11-10-16-2-3-18-13-20(5-4-17(18)12-16)27-19-6-8-21(9-7-19)29-14-22(23,24)25/h2-9,12-13,27H,10-11,14H2,1H3,(H,26,28)
InChIKeyHXXYIDVHINHLIK-UHFFFAOYSA-N
XLogP5.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S24773
CID 22133318
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163
1-[6-[(Dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-phenoxyphenyl)urea
CID 9866552
4-(6-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)naphthalen-2-yl)-N-methylbenzenamine
CID 56662842
6-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)phenyl)-N-methylnaphthalen-2-amine
CID 56673238
N-(4-methoxyphenyl)-2-[methyl(naphthalen-2-ylmethyl)amino]propanamide
CID 16330830
2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 16338637
N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide
CID 44524670
N-[4-[4-[3-cyano-4-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]butoxy]phenyl]butanamide
CID 44525573
N-[4-[3-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]propoxy]phenyl]butanamide
CID 44528849
N-[4-[3-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]propoxy]phenyl]butanamide
CID 44528868

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide (CID 68760879) is N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc2cc(Nc3ccc(OCC(F)(F)F)cc3)ccc2c1.
What is the InChIKey of N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
The InChIKey is HXXYIDVHINHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-15(28)26-11-10-16-2-3-18-13-20(5-4-17(18)12-16)27-19-6-8-21(9-7-19)29-14-22(23,24)25/h2-9,12-13,27H,10-11,14H2,1H3,(H,26,28).
What are the key properties of N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide is sourced from PubChem (CID 68760879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).