2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide

C20H20F3NO2 — CID 97260269

IUPAC2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide
SMILESO=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1[C@H](O)C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)19(26)16-10-3-4-11-17(16)24-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,19,26H,5,7-8,12H2,(H,24,25)/t14-,19-/m0/s1
InChIKeyQLRKWNMXPURBMC-LIRRHRJNSA-N
MW363.38 g/mol
LogP4.73
Rot. Bonds4

About 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide

2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide (PubChem CID 97260269) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide
PubChem CID97260269
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide
SMILESO=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1[C@H](O)C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)19(26)16-10-3-4-11-17(16)24-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,19,26H,5,7-8,12H2,(H,24,25)/t14-,19-/m0/s1
InChIKeyQLRKWNMXPURBMC-LIRRHRJNSA-N
XLogP4.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119618623
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196
3-methylsulfonyl-5-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzoic acid
CID 119257803
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide?
The IUPAC name of 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide (CID 97260269) is 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide is O=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1[C@H](O)C(F)(F)F.
What is the InChIKey of 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide?
The InChIKey is QLRKWNMXPURBMC-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)19(26)16-10-3-4-11-17(16)24-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-4,6,9-11,14,19,26H,5,7-8,12H2,(H,24,25)/t14-,19-/m0/s1.
What are the key properties of 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide?
2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 97260269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).