N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide

C21H23F3N2O2 — CID 51641243

IUPACN-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-15-2-4-16(5-3-15)19(26-10-12-28-13-11-26)14-25-20(27)17-6-8-18(9-7-17)21(22,23)24/h2-9,19H,10-14H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyIIQDNWOLEANRKK-LJQANCHMSA-N
MW392.42 g/mol
LogP3.82
Rot. Bonds5

About N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide (PubChem CID 51641243) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
PubChem CID51641243
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-15-2-4-16(5-3-15)19(26-10-12-28-13-11-26)14-25-20(27)17-6-8-18(9-7-17)21(22,23)24/h2-9,19H,10-14H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyIIQDNWOLEANRKK-LJQANCHMSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 60615350
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
(2R)-2-methylsulfanyl-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511637
(2R)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511635
2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
CID 119946956

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide (CID 51641243) is N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide is Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is IIQDNWOLEANRKK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-15-2-4-16(5-3-15)19(26-10-12-28-13-11-26)14-25-20(27)17-6-8-18(9-7-17)21(22,23)24/h2-9,19H,10-14H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 51641243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).