N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide

C26H23ClN4O3 — CID 50751113

IUPACN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-33-21-11-5-18(6-12-21)24-15-23(17-3-7-19(27)8-4-17)29-26(30-24)31-25(32)16-28-20-9-13-22(34-2)14-10-20/h3-15,28H,16H2,1-2H3,(H,29,30,31,32)
InChIKeyNXHYUIREURXFEX-UHFFFAOYSA-N
MW474.95 g/mol
LogP5.53
Rot. Bonds8

About N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide (PubChem CID 50751113) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
PubChem CID50751113
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC NameN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-33-21-11-5-18(6-12-21)24-15-23(17-3-7-19(27)8-4-17)29-26(30-24)31-25(32)16-28-20-9-13-22(34-2)14-10-20/h3-15,28H,16H2,1-2H3,(H,29,30,31,32)
InChIKeyNXHYUIREURXFEX-UHFFFAOYSA-N
XLogP5.53
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
CID 46269868
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 46269845
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(4-methoxyanilino)acetohydrazide
CID 18206228
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577
5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
CID 55497230
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-2-(4-methylpiperidin-1-yl)acetamide
CID 50751143

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide (CID 50751113) is N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide?
The InChIKey is NXHYUIREURXFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-33-21-11-5-18(6-12-21)24-15-23(17-3-7-19(27)8-4-17)29-26(30-24)31-25(32)16-28-20-9-13-22(34-2)14-10-20/h3-15,28H,16H2,1-2H3,(H,29,30,31,32).
What are the key properties of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide?
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide has a molecular weight of 474.95 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 50751113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).