N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C21H22F4N2O3 — CID 47040388

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H22F4N2O3/c22-17-5-3-16(4-6-17)19(27-9-11-29-12-10-27)14-26-20(28)13-15-1-7-18(8-2-15)30-21(23,24)25/h1-8,19H,9-14H2,(H,26,28)
InChIKeyFIFRBXCMXRXTNL-UHFFFAOYSA-N
MW426.41 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 47040388) has the molecular formula C21H22F4N2O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID47040388
Molecular FormulaC21H22F4N2O3
Molecular Weight426.41 g/mol
Exact Mass426.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H22F4N2O3/c22-17-5-3-16(4-6-17)19(27-9-11-29-12-10-27)14-26-20(28)13-15-1-7-18(8-2-15)30-21(23,24)25/h1-8,19H,9-14H2,(H,26,28)
InChIKeyFIFRBXCMXRXTNL-UHFFFAOYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
2-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931692
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 47040388) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FIFRBXCMXRXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O3/c22-17-5-3-16(4-6-17)19(27-9-11-29-12-10-27)14-26-20(28)13-15-1-7-18(8-2-15)30-21(23,24)25/h1-8,19H,9-14H2,(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 426.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 47040388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).