2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide

C23H24ClN3O2 — CID 90112663

IUPAC2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
SMILESCCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H24ClN3O2/c1-2-20-15-21(27-23(26-20)18-4-3-5-19(24)14-18)12-16-6-8-17(9-7-16)13-22(29)25-10-11-28/h3-9,14-15,28H,2,10-13H2,1H3,(H,25,29)
InChIKeyNIRWNBPXDXMYJK-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.60
Rot. Bonds8

About 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 90112663) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
PubChem CID90112663
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
SMILESCCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H24ClN3O2/c1-2-20-15-21(27-23(26-20)18-4-3-5-19(24)14-18)12-16-6-8-17(9-7-16)13-22(29)25-10-11-28/h3-9,14-15,28H,2,10-13H2,1H3,(H,25,29)
InChIKeyNIRWNBPXDXMYJK-UHFFFAOYSA-N
XLogP3.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
CID 118600805
2-(3-chlorophenyl)-4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine;3-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-3-methylbutan-2-one;2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-methyl-N-propylacetamide;bis(2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-propylacetamide);1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
CID 161001893
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
CID 90109881
2-[4-[[2-(3-chlorophenyl)-5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-propylacetamide
CID 90338684
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 90113055

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide (CID 90112663) is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide is CCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is NIRWNBPXDXMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-2-20-15-21(27-23(26-20)18-4-3-5-19(24)14-18)12-16-6-8-17(9-7-16)13-22(29)25-10-11-28/h3-9,14-15,28H,2,10-13H2,1H3,(H,25,29).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide?
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 409.92 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 90112663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).