N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide

C12H15ClN2O — CID 66185680

IUPACN-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C12H15ClN2O/c1-15(11-7-14-8-11)12(16)6-9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3
InChIKeyBNVWOQUBCJLPGR-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.31
Rot. Bonds3

About N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide

N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide (PubChem CID 66185680) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
PubChem CID66185680
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Cl)c1)C1CNC1
InChIInChI=1S/C12H15ClN2O/c1-15(11-7-14-8-11)12(16)6-9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3
InChIKeyBNVWOQUBCJLPGR-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
CID 66182884
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
2-(3-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 14771377
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 43596031
N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
CID 80672572
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(3-chlorophenyl)-N-methylpropanamide
CID 134704943
1-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethanone
CID 125118018

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide (CID 66185680) is N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide is CN(C(=O)Cc1cccc(Cl)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide?
The InChIKey is BNVWOQUBCJLPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15(11-7-14-8-11)12(16)6-9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide?
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide has a molecular weight of 238.72 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 66185680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).