4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide

C36H37F3N2O4 — CID 118705877

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3cccc(C(F)(F)F)c3)ccc2OC)c1
InChIInChI=1S/C36H37F3N2O4/c1-41-18-15-29(16-19-41)45-31-12-10-24(32(23-31)25-6-4-8-28(20-25)36(37,38)39)14-17-40-35(42)27-11-13-34(44-3)33(22-27)26-7-5-9-30(21-26)43-2/h4-13,20-23,29H,14-19H2,1-3H3,(H,40,42)
InChIKeyUTARUJBVGDKBQE-UHFFFAOYSA-N
MW618.70 g/mol
LogP7.50
Rot. Bonds10

About 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide

4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide (PubChem CID 118705877) has the molecular formula C36H37F3N2O4 and a molecular weight of 618.70 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide
PubChem CID118705877
Molecular FormulaC36H37F3N2O4
Molecular Weight618.70 g/mol
Exact Mass618.27
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3cccc(C(F)(F)F)c3)ccc2OC)c1
InChIInChI=1S/C36H37F3N2O4/c1-41-18-15-29(16-19-41)45-31-12-10-24(32(23-31)25-6-4-8-28(20-25)36(37,38)39)14-17-40-35(42)27-11-13-34(44-3)33(22-27)26-7-5-9-30(21-26)43-2/h4-13,20-23,29H,14-19H2,1-3H3,(H,40,42)
InChIKeyUTARUJBVGDKBQE-UHFFFAOYSA-N
XLogP7.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide (CID 118705877) is 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide is COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CCN(C)CC4)cc3-c3cccc(C(F)(F)F)c3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide?
The InChIKey is UTARUJBVGDKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F3N2O4/c1-41-18-15-29(16-19-41)45-31-12-10-24(32(23-31)25-6-4-8-28(20-25)36(37,38)39)14-17-40-35(42)27-11-13-34(44-3)33(22-27)26-7-5-9-30(21-26)43-2/h4-13,20-23,29H,14-19H2,1-3H3,(H,40,42).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide has a molecular weight of 618.70 g/mol, XLogP of 7.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[2-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 118705877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).