N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide

C22H21F3N2O2 — CID 68760878

IUPACN-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2cc(Nc3ccc(OCC(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C22H21F3N2O2/c1-14(26-15(2)28)16-3-4-18-12-20(6-5-17(18)11-16)27-19-7-9-21(10-8-19)29-13-22(23,24)25/h3-12,14,27H,13H2,1-2H3,(H,26,28)
InChIKeyTUVQTCWGLGZHGC-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.72
Rot. Bonds6

About N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide

N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide (PubChem CID 68760878) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
PubChem CID68760878
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2cc(Nc3ccc(OCC(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C22H21F3N2O2/c1-14(26-15(2)28)16-3-4-18-12-20(6-5-17(18)11-16)27-19-7-9-21(10-8-19)29-13-22(23,24)25/h3-12,14,27H,13H2,1-2H3,(H,26,28)
InChIKeyTUVQTCWGLGZHGC-UHFFFAOYSA-N
XLogP5.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
CID 52502800
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119748722
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide (CID 68760878) is N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2cc(Nc3ccc(OCC(F)(F)F)cc3)ccc2c1.
What is the InChIKey of N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
The InChIKey is TUVQTCWGLGZHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-14(26-15(2)28)16-3-4-18-12-20(6-5-17(18)11-16)27-19-7-9-21(10-8-19)29-13-22(23,24)25/h3-12,14,27H,13H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide?
N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide is sourced from PubChem (CID 68760878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).