2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

C14H13Cl2N3O — CID 47312763

IUPAC2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O/c1-9-17-6-5-10(19-9)8-18-14(20)7-11-12(15)3-2-4-13(11)16/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyMXCJZDFLUBFYAH-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 47312763) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID47312763
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O/c1-9-17-6-5-10(19-9)8-18-14(20)7-11-12(15)3-2-4-13(11)16/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyMXCJZDFLUBFYAH-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (CID 47312763) is 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is Cc1nccc(CNC(=O)Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is MXCJZDFLUBFYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-9-17-6-5-10(19-9)8-18-14(20)7-11-12(15)3-2-4-13(11)16/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 310.18 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 47312763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).