2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide

C12H16Cl2N2O — CID 119319554

IUPAC2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,7-16-10(17)6-15)11-8(13)4-3-5-9(11)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyCHSMWZBWIBIHCJ-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide

2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide (PubChem CID 119319554) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
PubChem CID119319554
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,7-16-10(17)6-15)11-8(13)4-3-5-9(11)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyCHSMWZBWIBIHCJ-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide (CID 119319554) is 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is CHSMWZBWIBIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-12(2,7-16-10(17)6-15)11-8(13)4-3-5-9(11)14/h3-5H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide?
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide has a molecular weight of 275.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 119319554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).