N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

C23H26ClF3N2O3 — CID 92988777

IUPACN-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(Cc2ccccc2Cl)CCO1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26ClF3N2O3/c1-31-11-10-29(22(30)17-6-4-7-19(13-17)23(25,26)27)16-20-15-28(9-12-32-20)14-18-5-2-3-8-21(18)24/h2-8,13,20H,9-12,14-16H2,1H3/t20-/m0/s1
InChIKeyJAFOVWRFOHZHIQ-FQEVSTJZSA-N
MW470.92 g/mol
LogP4.35
Rot. Bonds8

About N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 92988777) has the molecular formula C23H26ClF3N2O3 and a molecular weight of 470.92 g/mol. Its IUPAC name is N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID92988777
Molecular FormulaC23H26ClF3N2O3
Molecular Weight470.92 g/mol
Exact Mass470.16
IUPAC NameN-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(Cc2ccccc2Cl)CCO1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26ClF3N2O3/c1-31-11-10-29(22(30)17-6-4-7-19(13-17)23(25,26)27)16-20-15-28(9-12-32-20)14-18-5-2-3-8-21(18)24/h2-8,13,20H,9-12,14-16H2,1H3/t20-/m0/s1
InChIKeyJAFOVWRFOHZHIQ-FQEVSTJZSA-N
XLogP4.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 92989507
N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 98634512
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 46041263
N-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984292
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
N-[[(2S)-4-(1-hydroxy-2-methylpropan-2-yl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989560

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 92988777) is N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCN(C[C@@H]1CN(Cc2ccccc2Cl)CCO1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JAFOVWRFOHZHIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26ClF3N2O3/c1-31-11-10-29(22(30)17-6-4-7-19(13-17)23(25,26)27)16-20-15-28(9-12-32-20)14-18-5-2-3-8-21(18)24/h2-8,13,20H,9-12,14-16H2,1H3/t20-/m0/s1.
What are the key properties of N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 470.92 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 92988777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).