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

C21H20ClN3O3 — CID 92649000

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C21H20ClN3O3/c1-13(17-5-3-4-6-18(17)28-2)24-19(26)11-15-12-23-20(25-21(15)27)14-7-9-16(22)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H,23,25,27)/t13-/m1/s1
InChIKeyIVLNZIKTWFQDCI-CYBMUJFWSA-N
MW397.86 g/mol
LogP3.52
Rot. Bonds6

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

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 92649000) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID92649000
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C21H20ClN3O3/c1-13(17-5-3-4-6-18(17)28-2)24-19(26)11-15-12-23-20(25-21(15)27)14-7-9-16(22)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H,23,25,27)/t13-/m1/s1
InChIKeyIVLNZIKTWFQDCI-CYBMUJFWSA-N
XLogP3.52
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92648849
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-phenoxyphenyl)acetamide
CID 92648971
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
CID 92648967
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 166198972
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 92649000) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is IVLNZIKTWFQDCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13(17-5-3-4-6-18(17)28-2)24-19(26)11-15-12-23-20(25-21(15)27)14-7-9-16(22)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H,23,25,27)/t13-/m1/s1.
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 92649000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).