N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C19H14F8N2O2 — CID 24554961

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H14F8N2O2/c20-14-10(15(21)17(23)18(24)16(14)22)8-13(30)28-11-7-9(19(25,26)27)1-2-12(11)29-3-5-31-6-4-29/h1-2,7H,3-6,8H2,(H,28,30)
InChIKeyYJKVGODPLXQGMF-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.42
Rot. Bonds4

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 24554961) has the molecular formula C19H14F8N2O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID24554961
Molecular FormulaC19H14F8N2O2
Molecular Weight454.32 g/mol
Exact Mass454.09
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H14F8N2O2/c20-14-10(15(21)17(23)18(24)16(14)22)8-13(30)28-11-7-9(19(25,26)27)1-2-12(11)29-3-5-31-6-4-29/h1-2,7H,3-6,8H2,(H,28,30)
InChIKeyYJKVGODPLXQGMF-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(2-methoxy-5-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 27667879
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16556831
2-(3-morpholin-4-ylpropylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3514571
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 24554961) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is YJKVGODPLXQGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F8N2O2/c20-14-10(15(21)17(23)18(24)16(14)22)8-13(30)28-11-7-9(19(25,26)27)1-2-12(11)29-3-5-31-6-4-29/h1-2,7H,3-6,8H2,(H,28,30).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 454.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 24554961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).