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

C24H24ClN3O3 — CID 71737015

IUPAC2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1
InChIInChI=1S/C24H24ClN3O3/c25-20-5-1-18(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/h1-9,12,17H,10-11,13-16H2,(H,27,29)
InChIKeyRKEZOEHVHFCFLR-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.39
Rot. Bonds7

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

2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 71737015) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID71737015
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1
InChIInChI=1S/C24H24ClN3O3/c25-20-5-1-18(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/h1-9,12,17H,10-11,13-16H2,(H,27,29)
InChIKeyRKEZOEHVHFCFLR-UHFFFAOYSA-N
XLogP4.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 165399699
2-[4-[C-benzyl-N-[(4-chlorophenyl)methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528633
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
2-(4-chlorophenoxy)-N-[[1-(4-methoxyphenyl)azetidin-3-yl]methyl]acetamide
CID 137380565
2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921448
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-(4-chlorophenoxy)-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 95973535
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-chlorophenoxy)acetamide
CID 121109465
2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921333
2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 71735409
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 166633689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (CID 71737015) is 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is O=C(COc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1)NCC1CCOCC1.
What is the InChIKey of 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is RKEZOEHVHFCFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-20-5-1-18(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/h1-9,12,17H,10-11,13-16H2,(H,27,29).
What are the key properties of 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]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 437.93 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 71737015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).