2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide

C14H19ClN2O — CID 64610155

IUPAC2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)CC1CNC1
InChIInChI=1S/C14H19ClN2O/c1-10(12-5-3-4-6-13(12)15)17(2)14(18)7-11-8-16-9-11/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyKKGLFAJEKQGAAA-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.47
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide

2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide (PubChem CID 64610155) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
PubChem CID64610155
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)CC1CNC1
InChIInChI=1S/C14H19ClN2O/c1-10(12-5-3-4-6-13(12)15)17(2)14(18)7-11-8-16-9-11/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyKKGLFAJEKQGAAA-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64610778
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029044
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(thian-4-yl)acetamide
CID 82707409
N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 62729336
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957895
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide (CID 64610155) is 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide is CC(c1ccccc1Cl)N(C)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is KKGLFAJEKQGAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(12-5-3-4-6-13(12)15)17(2)14(18)7-11-8-16-9-11/h3-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide?
2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.47, 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-[1-(2-chlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 64610155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).