N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide

C17H20ClN3O3 — CID 2366160

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C(C)C)nc(C)cc2=O)cc1Cl
InChIInChI=1S/C17H20ClN3O3/c1-10(2)17-19-11(3)7-16(23)21(17)9-15(22)20-12-5-6-14(24-4)13(18)8-12/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeyRRDAVNUZCWQYEI-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.98
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 2366160) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID2366160
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C(C)C)nc(C)cc2=O)cc1Cl
InChIInChI=1S/C17H20ClN3O3/c1-10(2)17-19-11(3)7-16(23)21(17)9-15(22)20-12-5-6-14(24-4)13(18)8-12/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeyRRDAVNUZCWQYEI-UHFFFAOYSA-N
XLogP2.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide (CID 2366160) is N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide is COc1ccc(NC(=O)Cn2c(C(C)C)nc(C)cc2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is RRDAVNUZCWQYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-10(2)17-19-11(3)7-16(23)21(17)9-15(22)20-12-5-6-14(24-4)13(18)8-12/h5-8,10H,9H2,1-4H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 2366160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).