N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide

C13H16ClN3O2 — CID 66187394

IUPACN-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide
SMILESCN(CC(=O)NC(=O)c1ccccc1Cl)C1CNC1
InChIInChI=1S/C13H16ClN3O2/c1-17(9-6-15-7-9)8-12(18)16-13(19)10-4-2-3-5-11(10)14/h2-5,9,15H,6-8H2,1H3,(H,16,18,19)
InChIKeyIBTCAAHUPOKFFZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.50
Rot. Bonds4

About N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide

N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide (PubChem CID 66187394) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide
PubChem CID66187394
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide
SMILESCN(CC(=O)NC(=O)c1ccccc1Cl)C1CNC1
InChIInChI=1S/C13H16ClN3O2/c1-17(9-6-15-7-9)8-12(18)16-13(19)10-4-2-3-5-11(10)14/h2-5,9,15H,6-8H2,1H3,(H,16,18,19)
InChIKeyIBTCAAHUPOKFFZ-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
N-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]-2-chlorobenzamide
CID 66212217
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 55170845
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
4-chloro-N-[2-[methyl(piperidin-3-yl)amino]acetyl]benzamide
CID 63644286
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
2-[azetidin-3-yl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 66186447
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735

Frequently Asked Questions

What is the IUPAC name of N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide (CID 66187394) is N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide is CN(CC(=O)NC(=O)c1ccccc1Cl)C1CNC1.
What is the InChIKey of N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide?
The InChIKey is IBTCAAHUPOKFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-17(9-6-15-7-9)8-12(18)16-13(19)10-4-2-3-5-11(10)14/h2-5,9,15H,6-8H2,1H3,(H,16,18,19).
What are the key properties of N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide?
N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide has a molecular weight of 281.74 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide is sourced from PubChem (CID 66187394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).