N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide

C20H16F3NO2 — CID 95367178

IUPACN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-11-4-3-9-16(17)19(26)24-12-18(25)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,25H,12H2,(H,24,26)/t18-/m1/s1
InChIKeyKIPOZKHSPWNDGF-GOSISDBHSA-N
MW359.35 g/mol
LogP4.32
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide (PubChem CID 95367178) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
PubChem CID95367178
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-11-4-3-9-16(17)19(26)24-12-18(25)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,25H,12H2,(H,24,26)/t18-/m1/s1
InChIKeyKIPOZKHSPWNDGF-GOSISDBHSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
CID 90497285
5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
CID 95367180
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide (CID 95367178) is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KIPOZKHSPWNDGF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)17-11-4-3-9-16(17)19(26)24-12-18(25)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,25H,12H2,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide?
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 95367178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).