2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide

C13H18ClN3O — CID 66186198

IUPAC2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(C)C1CNC1
InChIInChI=1S/C13H18ClN3O/c1-9-11(14)4-3-5-12(9)16-13(18)8-17(2)10-6-15-7-10/h3-5,10,15H,6-8H2,1-2H3,(H,16,18)
InChIKeyQGLCAKGGECAKIF-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.49
Rot. Bonds4

About 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide

2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 66186198) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID66186198
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(C)C1CNC1
InChIInChI=1S/C13H18ClN3O/c1-9-11(14)4-3-5-12(9)16-13(18)8-17(2)10-6-15-7-10/h3-5,10,15H,6-8H2,1-2H3,(H,16,18)
InChIKeyQGLCAKGGECAKIF-UHFFFAOYSA-N
XLogP1.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 66186447
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
N-(3-chloro-2-methylphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1287742
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide
CID 66187394
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66216307
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 66186198) is 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CN(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is QGLCAKGGECAKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-11(14)4-3-5-12(9)16-13(18)8-17(2)10-6-15-7-10/h3-5,10,15H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 66186198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).