2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

C39H35F5N2O6 — CID 90416829

IUPAC2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(-c2cc(F)c(CC(=O)Nc3ccc(OCCOCc4ccccc4)c(C(F)(F)F)c3)c(F)c2)cnc1OCc1ccc(OC)cc1
InChIInChI=1S/C39H35F5N2O6/c1-3-50-36-19-28(22-45-38(36)52-24-26-9-12-30(48-2)13-10-26)27-17-33(40)31(34(41)18-27)21-37(47)46-29-11-14-35(32(20-29)39(42,43)44)51-16-15-49-23-25-7-5-4-6-8-25/h4-14,17-20,22H,3,15-16,21,23-24H2,1-2H3,(H,46,47)
InChIKeyKRQWJBFRQZOSJZ-UHFFFAOYSA-N
MW722.71 g/mol
LogP8.81
Rot. Bonds16

About 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 90416829) has the molecular formula C39H35F5N2O6 and a molecular weight of 722.71 g/mol. Its IUPAC name is 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID90416829
Molecular FormulaC39H35F5N2O6
Molecular Weight722.71 g/mol
Exact Mass722.24
IUPAC Name2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(-c2cc(F)c(CC(=O)Nc3ccc(OCCOCc4ccccc4)c(C(F)(F)F)c3)c(F)c2)cnc1OCc1ccc(OC)cc1
InChIInChI=1S/C39H35F5N2O6/c1-3-50-36-19-28(22-45-38(36)52-24-26-9-12-30(48-2)13-10-26)27-17-33(40)31(34(41)18-27)21-37(47)46-29-11-14-35(32(20-29)39(42,43)44)51-16-15-49-23-25-7-5-4-6-8-25/h4-14,17-20,22H,3,15-16,21,23-24H2,1-2H3,(H,46,47)
InChIKeyKRQWJBFRQZOSJZ-UHFFFAOYSA-N
XLogP8.81
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.71
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
CID 90423274
2-(4-ethoxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 24583920
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100745829
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
2-(3-fluorophenyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745498
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (CID 90416829) is 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is CCOc1cc(-c2cc(F)c(CC(=O)Nc3ccc(OCCOCc4ccccc4)c(C(F)(F)F)c3)c(F)c2)cnc1OCc1ccc(OC)cc1.
What is the InChIKey of 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KRQWJBFRQZOSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35F5N2O6/c1-3-50-36-19-28(22-45-38(36)52-24-26-9-12-30(48-2)13-10-26)27-17-33(40)31(34(41)18-27)21-37(47)46-29-11-14-35(32(20-29)39(42,43)44)51-16-15-49-23-25-7-5-4-6-8-25/h4-14,17-20,22H,3,15-16,21,23-24H2,1-2H3,(H,46,47).
What are the key properties of 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 722.71 g/mol, XLogP of 8.81, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90416829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).