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

C20H18ClN3O3 — CID 7747874

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-13-22-17(14-6-4-3-5-7-14)11-20(26)24(13)12-19(25)23-15-8-9-18(27-2)16(21)10-15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyVLSHKAXNLWGYMS-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.52
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 7747874) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID7747874
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-13-22-17(14-6-4-3-5-7-14)11-20(26)24(13)12-19(25)23-15-8-9-18(27-2)16(21)10-15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyVLSHKAXNLWGYMS-UHFFFAOYSA-N
XLogP3.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91904074
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CID 20893997
N-(3-chloro-4-methoxyphenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17077496
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 7747874) is N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide is COc1ccc(NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is VLSHKAXNLWGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13-22-17(14-6-4-3-5-7-14)11-20(26)24(13)12-19(25)23-15-8-9-18(27-2)16(21)10-15/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 383.84 g/mol, XLogP of 3.52, 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-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 7747874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).