2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide

C21H20F6N2O3 — CID 10298340

IUPAC2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C21H20F6N2O3/c22-20(23,24)15-8-13(9-16(10-15)21(25,26)27)12-32-19-18(14-4-2-1-3-5-14)29(6-7-31-19)11-17(28)30/h1-5,8-10,18-19H,6-7,11-12H2,(H2,28,30)
InChIKeyGFOCXNQTHDSCRO-UHFFFAOYSA-N
MW462.39 g/mol
LogP4.13
Rot. Bonds6

About 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide

2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide (PubChem CID 10298340) has the molecular formula C21H20F6N2O3 and a molecular weight of 462.39 g/mol. Its IUPAC name is 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide
PubChem CID10298340
Molecular FormulaC21H20F6N2O3
Molecular Weight462.39 g/mol
Exact Mass462.14
IUPAC Name2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C21H20F6N2O3/c22-20(23,24)15-8-13(9-16(10-15)21(25,26)27)12-32-19-18(14-4-2-1-3-5-14)29(6-7-31-19)11-17(28)30/h1-5,8-10,18-19H,6-7,11-12H2,(H2,28,30)
InChIKeyGFOCXNQTHDSCRO-UHFFFAOYSA-N
XLogP4.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S,3R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]hexanoic acid
CID 22860742
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]acetic acid
CID 19379348
5-[[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]methyl]-2,3-dihydro-1H-1,2,4-triazole-3-carbaldehyde
CID 174462319
(2R,3S)-4-benzyl-3-(4-fluorophenyl)-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]morpholine
CID 21308853
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
CID 87675846
(2S,3S)-4-benzyl-2-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]butoxy]-3-phenylmorpholine
CID 10531317
(Z)-[1-amino-2-[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]ethylidene]urea
CID 143854196
2-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]acetic acid
CID 10185141
3-[[2-[[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]methoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137068361
2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine
CID 67605531
2-[(2S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]acetonitrile
CID 54276036
1-[5-[[2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
CID 87714444

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide?
The IUPAC name of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide (CID 10298340) is 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide.
What is the SMILES notation for 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide?
The canonical SMILES for 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide is NC(=O)CN1CCOC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1.
What is the InChIKey of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide?
The InChIKey is GFOCXNQTHDSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O3/c22-20(23,24)15-8-13(9-16(10-15)21(25,26)27)12-32-19-18(14-4-2-1-3-5-14)29(6-7-31-19)11-17(28)30/h1-5,8-10,18-19H,6-7,11-12H2,(H2,28,30).
What are the key properties of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide?
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide has a molecular weight of 462.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetamide is sourced from PubChem (CID 10298340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).