2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

C49H49Cl2N5O6 — CID 160678562

IUPAC2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2cccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1.O=C(COc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1
InChIInChI=1S/C25H25ClN2O3.C24H24ClN3O3/c26-21-8-4-19(5-9-21)23-2-1-3-24(28-23)20-6-10-22(11-7-20)31-17-25(29)27-16-18-12-14-30-15-13-18;25-20-5-1-18(2-6-20)22-9-12-26-24(28-22)19-3-7-21(8-4-19)31-16-23(29)27-15-17-10-13-30-14-11-17/h1-11,18H,12-17H2,(H,27,29);1-9,12,17H,10-11,13-16H2,(H,27,29)
InChIKeyRNVPCJJIKASQSE-UHFFFAOYSA-N
MW874.87 g/mol
LogP9.38
Rot. Bonds14

About 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 160678562) has the molecular formula C49H49Cl2N5O6 and a molecular weight of 874.87 g/mol. Its IUPAC name is 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID160678562
Molecular FormulaC49H49Cl2N5O6
Molecular Weight874.87 g/mol
Exact Mass873.31
IUPAC Name2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2cccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1.O=C(COc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1
InChIInChI=1S/C25H25ClN2O3.C24H24ClN3O3/c26-21-8-4-19(5-9-21)23-2-1-3-24(28-23)20-6-10-22(11-7-20)31-17-25(29)27-16-18-12-14-30-15-13-18;25-20-5-1-18(2-6-20)22-9-12-26-24(28-22)19-3-7-21(8-4-19)31-16-23(29)27-15-17-10-13-30-14-11-17/h1-11,18H,12-17H2,(H,27,29);1-9,12,17H,10-11,13-16H2,(H,27,29)
InChIKeyRNVPCJJIKASQSE-UHFFFAOYSA-N
XLogP9.38
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.87
LogP ≤ 59.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide with MolForge

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Related Compounds

US11773078, Example 250
CID 146241322
2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 59509027
US11773078, Example 315
CID 146240983
N-(3-methoxypropyl)-2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetamide
CID 4252590
US11773078, Example 261
CID 146240896
US11773078, Example 96
CID 146240907
US11773078, Example 303
CID 146240932
US11773078, Example 88
CID 146241024
US11773078, Example 119
CID 146241128
US11773078, Example 64
CID 146241140
US11773078, Example 284
CID 146241387
US11773078, Example 262
CID 146241452

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (CID 160678562) is 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is O=C(COc1ccc(-c2cccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1.O=C(COc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1.
What is the InChIKey of 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is RNVPCJJIKASQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3.C24H24ClN3O3/c26-21-8-4-19(5-9-21)23-2-1-3-24(28-23)20-6-10-22(11-7-20)31-17-25(29)27-16-18-12-14-30-15-13-18;25-20-5-1-18(2-6-20)22-9-12-26-24(28-22)19-3-7-21(8-4-19)31-16-23(29)27-15-17-10-13-30-14-11-17/h1-11,18H,12-17H2,(H,27,29);1-9,12,17H,10-11,13-16H2,(H,27,29).
What are the key properties of 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 874.87 g/mol, XLogP of 9.38, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-chlorophenyl)-2-pyridinyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide;2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 160678562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).