N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide

C26H23ClN4O2 — CID 46269866

IUPACN-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C26H23ClN4O2/c1-2-33-24-11-7-6-10-21(24)28-17-25(32)31-26-29-22(18-8-4-3-5-9-18)16-23(30-26)19-12-14-20(27)15-13-19/h3-16,28H,2,17H2,1H3,(H,29,30,31,32)
InChIKeyWXXNWTLEFMHDAL-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.91
Rot. Bonds8

About N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide

N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide (PubChem CID 46269866) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
PubChem CID46269866
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC NameN-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
SMILESCCOc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C26H23ClN4O2/c1-2-33-24-11-7-6-10-21(24)28-17-25(32)31-26-29-22(18-8-4-3-5-9-18)16-23(30-26)19-12-14-20(27)15-13-19/h3-16,28H,2,17H2,1H3,(H,29,30,31,32)
InChIKeyWXXNWTLEFMHDAL-UHFFFAOYSA-N
XLogP5.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
CID 46269868
2-(2,4-dimethylanilino)-N-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]acetamide
CID 46269896
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745548
N-(4,6-diphenylpyrimidin-2-yl)propanamide
CID 11278089
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide
CID 20863084
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
N-(2-ethoxyphenyl)-2-(6-methyl-2-phenylquinolin-4-yl)oxyacetamide
CID 46298833
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide (CID 46269866) is N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide is CCOc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide?
The InChIKey is WXXNWTLEFMHDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c1-2-33-24-11-7-6-10-21(24)28-17-25(32)31-26-29-22(18-8-4-3-5-9-18)16-23(30-26)19-12-14-20(27)15-13-19/h3-16,28H,2,17H2,1H3,(H,29,30,31,32).
What are the key properties of N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide?
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide has a molecular weight of 458.95 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide is sourced from PubChem (CID 46269866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).