N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide

C17H20ClN3O — CID 70552983

IUPACN-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1nc(C)cc(C)n1)c1c(C)ccc(Cl)c1C
InChIInChI=1S/C17H20ClN3O/c1-10-6-7-15(18)13(4)17(10)21(14(5)22)9-16-19-11(2)8-12(3)20-16/h6-8H,9H2,1-5H3
InChIKeyKYMQCXFASAARTI-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.92
Rot. Bonds3

About N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide

N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide (PubChem CID 70552983) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
PubChem CID70552983
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1nc(C)cc(C)n1)c1c(C)ccc(Cl)c1C
InChIInChI=1S/C17H20ClN3O/c1-10-6-7-15(18)13(4)17(10)21(14(5)22)9-16-19-11(2)8-12(3)20-16/h6-8H,9H2,1-5H3
InChIKeyKYMQCXFASAARTI-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide (CID 70552983) is N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide is CC(=O)N(Cc1nc(C)cc(C)n1)c1c(C)ccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is KYMQCXFASAARTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-10-6-7-15(18)13(4)17(10)21(14(5)22)9-16-19-11(2)8-12(3)20-16/h6-8H,9H2,1-5H3.
What are the key properties of N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 70552983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).