2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide

C12H14Cl2N2O — CID 64618728

IUPAC2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CC2CNC2)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-2-3-9(13)12(11(7)14)16-10(17)4-8-5-15-6-8/h2-3,8,15H,4-6H2,1H3,(H,16,17)
InChIKeyDQDIFNZYIHKSJS-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.85
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 64618728) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID64618728
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CC2CNC2)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-2-3-9(13)12(11(7)14)16-10(17)4-8-5-15-6-8/h2-3,8,15H,4-6H2,1H3,(H,16,17)
InChIKeyDQDIFNZYIHKSJS-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
N-(2,6-dichloro-3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62211874
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930472
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655751
1-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81157002

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 64618728) is 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)CC2CNC2)c1Cl.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is DQDIFNZYIHKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-2-3-9(13)12(11(7)14)16-10(17)4-8-5-15-6-8/h2-3,8,15H,4-6H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 273.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 64618728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).