2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide

C13H17ClN2O — CID 64611177

IUPAC2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CC1CNC1
InChIInChI=1S/C13H17ClN2O/c1-16(13(17)6-11-7-15-8-11)9-10-2-4-12(14)5-3-10/h2-5,11,15H,6-9H2,1H3
InChIKeyTXLGQBBAXMXOJI-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.91
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide

2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 64611177) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
PubChem CID64611177
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CC1CNC1
InChIInChI=1S/C13H17ClN2O/c1-16(13(17)6-11-7-15-8-11)9-10-2-4-12(14)5-3-10/h2-5,11,15H,6-9H2,1H3
InChIKeyTXLGQBBAXMXOJI-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(4-chlorophenyl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877600
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
CID 64611610
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
3-[4-[[(2-cyclopropylacetyl)-methylamino]methyl]phenyl]prop-2-enoic acid
CID 76909866

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide (CID 64611177) is 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)cc1)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is TXLGQBBAXMXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16(13(17)6-11-7-15-8-11)9-10-2-4-12(14)5-3-10/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 252.74 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 64611177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).