4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide

C25H23F3N2O7 — CID 90061881

IUPAC4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCCO
InChIInChI=1S/C25H23F3N2O7/c1-34-21-10-8-18(30-23(21)15-3-6-17(7-4-15)37-25(26,27)28)19(32)14-29-24(33)16-5-9-20(36-12-11-31)22(13-16)35-2/h3-10,13,31H,11-12,14H2,1-2H3,(H,29,33)
InChIKeySJLUFCCIRZKKPM-UHFFFAOYSA-N
MW520.46 g/mol
LogP3.65
Rot. Bonds11

About 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide

4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 90061881) has the molecular formula C25H23F3N2O7 and a molecular weight of 520.46 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
PubChem CID90061881
Molecular FormulaC25H23F3N2O7
Molecular Weight520.46 g/mol
Exact Mass520.15
IUPAC Name4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCCO
InChIInChI=1S/C25H23F3N2O7/c1-34-21-10-8-18(30-23(21)15-3-6-17(7-4-15)37-25(26,27)28)19(32)14-29-24(33)16-5-9-20(36-12-11-31)22(13-16)35-2/h3-10,13,31H,11-12,14H2,1-2H3,(H,29,33)
InChIKeySJLUFCCIRZKKPM-UHFFFAOYSA-N
XLogP3.65
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide (CID 90061881) is 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The InChIKey is SJLUFCCIRZKKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O7/c1-34-21-10-8-18(30-23(21)15-3-6-17(7-4-15)37-25(26,27)28)19(32)14-29-24(33)16-5-9-20(36-12-11-31)22(13-16)35-2/h3-10,13,31H,11-12,14H2,1-2H3,(H,29,33).
What are the key properties of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide has a molecular weight of 520.46 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90061881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).