N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide

C26H23F4N3O4 — CID 160817530

IUPACN-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Cc2ccc(-c3cccnc3F)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C26H23F4N3O4/c27-25-20(2-1-9-31-25)18-5-3-17(4-6-18)14-22(34)19-7-8-23(37-26(28,29)30)21(15-19)32-24(35)16-33-10-12-36-13-11-33/h1-9,15H,10-14,16H2,(H,32,35)
InChIKeySFCDTGFCFZMUHJ-UHFFFAOYSA-N
MW517.48 g/mol
LogP4.48
Rot. Bonds8

About N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide

N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 160817530) has the molecular formula C26H23F4N3O4 and a molecular weight of 517.48 g/mol. Its IUPAC name is N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
PubChem CID160817530
Molecular FormulaC26H23F4N3O4
Molecular Weight517.48 g/mol
Exact Mass517.16
IUPAC NameN-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Cc2ccc(-c3cccnc3F)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C26H23F4N3O4/c27-25-20(2-1-9-31-25)18-5-3-17(4-6-18)14-22(34)19-7-8-23(37-26(28,29)30)21(15-19)32-24(35)16-33-10-12-36-13-11-33/h1-9,15H,10-14,16H2,(H,32,35)
InChIKeySFCDTGFCFZMUHJ-UHFFFAOYSA-N
XLogP4.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
N-[5-[2-[5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 158091741
N-[5-[2-[5-(2-ethylphenyl)-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 159006291
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118390484
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 158279988
[N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzoyl]carbamimidoyl] 3-methylpyridine-2-carboximidothioate
CID 154038699
2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 142796000
N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 162116430
N-[6-(2-aminopyrimidin-5-yl)pyridazin-3-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385317

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide (CID 160817530) is N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Cc2ccc(-c3cccnc3F)cc2)ccc1OC(F)(F)F.
What is the InChIKey of N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is SFCDTGFCFZMUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3O4/c27-25-20(2-1-9-31-25)18-5-3-17(4-6-18)14-22(34)19-7-8-23(37-26(28,29)30)21(15-19)32-24(35)16-33-10-12-36-13-11-33/h1-9,15H,10-14,16H2,(H,32,35).
What are the key properties of N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?
N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 517.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 160817530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).