N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide

C24H28F4N2O2 — CID 42862141

IUPACN-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
SMILESCC(C)CN(CC1CN(Cc2cccc(F)c2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H28F4N2O2/c1-17(2)13-30(23(31)19-6-8-20(9-7-19)24(26,27)28)16-22-15-29(10-11-32-22)14-18-4-3-5-21(25)12-18/h3-9,12,17,22H,10-11,13-16H2,1-2H3
InChIKeyITXCSGSGPPRUHE-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.84
Rot. Bonds7

About N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide

N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide (PubChem CID 42862141) has the molecular formula C24H28F4N2O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
PubChem CID42862141
Molecular FormulaC24H28F4N2O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC NameN-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
SMILESCC(C)CN(CC1CN(Cc2cccc(F)c2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H28F4N2O2/c1-17(2)13-30(23(31)19-6-8-20(9-7-19)24(26,27)28)16-22-15-29(10-11-32-22)14-18-4-3-5-21(25)12-18/h3-9,12,17,22H,10-11,13-16H2,1-2H3
InChIKeyITXCSGSGPPRUHE-UHFFFAOYSA-N
XLogP4.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 92988860
3-fluoro-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46060233
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99732290
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
4-fluoro-N-(2-methylpropyl)-N-[[4-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]benzamide
CID 46037210
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
4-fluoro-N-[[(3S,4R)-4-(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 129428721

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide (CID 42862141) is N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide is CC(C)CN(CC1CN(Cc2cccc(F)c2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
The InChIKey is ITXCSGSGPPRUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O2/c1-17(2)13-30(23(31)19-6-8-20(9-7-19)24(26,27)28)16-22-15-29(10-11-32-22)14-18-4-3-5-21(25)12-18/h3-9,12,17,22H,10-11,13-16H2,1-2H3.
What are the key properties of N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide has a molecular weight of 452.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42862141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).