2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide

C20H18ClN3O2 — CID 92648849

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C20H18ClN3O2/c1-13(14-5-3-2-4-6-14)23-18(25)11-16-12-22-19(24-20(16)26)15-7-9-17(21)10-8-15/h2-10,12-13H,11H2,1H3,(H,23,25)(H,22,24,26)/t13-/m1/s1
InChIKeyWHMQONGRSVCKQZ-CYBMUJFWSA-N
MW367.84 g/mol
LogP3.51
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 92648849) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID92648849
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C20H18ClN3O2/c1-13(14-5-3-2-4-6-14)23-18(25)11-16-12-22-19(24-20(16)26)15-7-9-17(21)10-8-15/h2-10,12-13H,11H2,1H3,(H,23,25)(H,22,24,26)/t13-/m1/s1
InChIKeyWHMQONGRSVCKQZ-CYBMUJFWSA-N
XLogP3.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92648982
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
CID 92648829
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
CID 92648967
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
CID 92648971
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide
CID 92648884
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51894147
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 92648849) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is WHMQONGRSVCKQZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13(14-5-3-2-4-6-14)23-18(25)11-16-12-22-19(24-20(16)26)15-7-9-17(21)10-8-15/h2-10,12-13H,11H2,1H3,(H,23,25)(H,22,24,26)/t13-/m1/s1.
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 367.84 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 92648849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).