2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide

C25H26ClN3O4 — CID 118911706

IUPAC2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccccc1OCc1cc(Cl)ccc1OCCN1CCOCC1
InChIInChI=1S/C25H26ClN3O4/c26-20-7-8-23(32-15-12-29-10-13-31-14-11-29)19(16-20)18-33-24-6-2-1-5-22(24)25(30)28-21-4-3-9-27-17-21/h1-9,16-17H,10-15,18H2,(H,28,30)
InChIKeyZEGJBBWWHKFFFU-UHFFFAOYSA-N
MW467.95 g/mol
LogP4.28
Rot. Bonds9

About 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide

2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911706) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911706
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Name2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccccc1OCc1cc(Cl)ccc1OCCN1CCOCC1
InChIInChI=1S/C25H26ClN3O4/c26-20-7-8-23(32-15-12-29-10-13-31-14-11-29)19(16-20)18-33-24-6-2-1-5-22(24)25(30)28-21-4-3-9-27-17-21/h1-9,16-17H,10-15,18H2,(H,28,30)
InChIKeyZEGJBBWWHKFFFU-UHFFFAOYSA-N
XLogP4.28
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (CID 118911706) is 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccccc1OCc1cc(Cl)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is ZEGJBBWWHKFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c26-20-7-8-23(32-15-12-29-10-13-31-14-11-29)19(16-20)18-33-24-6-2-1-5-22(24)25(30)28-21-4-3-9-27-17-21/h1-9,16-17H,10-15,18H2,(H,28,30).
What are the key properties of 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 467.95 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).