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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Related Compounds

2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911752
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911692
2-[(2-chloro-6-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide;2-[(5-chloro-2-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide;2-[(2,5-dichlorophenyl)methoxy]-N-pyridin-3-ylbenzamide;2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide;2-[(2-ethoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 161453672
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278992
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
5-chloro-N-(2-chloro-4-nitrophenyl)-2-(2-morpholin-4-ylethoxy)benzamide
CID 71527591
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744

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).