3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide

C13H18ClN3O — CID 66186658

IUPAC3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C1CNC1
InChIInChI=1S/C13H18ClN3O/c1-17(10-8-15-9-10)7-6-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeySTURDKGNQARSRD-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.57
Rot. Bonds5

About 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide

3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide (PubChem CID 66186658) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
PubChem CID66186658
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)C1CNC1
InChIInChI=1S/C13H18ClN3O/c1-17(10-8-15-9-10)7-6-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeySTURDKGNQARSRD-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63642324
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
N-(2-chlorophenyl)-3-[methyl(piperidin-2-ylmethyl)amino]propanamide
CID 106635404

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide (CID 66186658) is 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide is CN(CCC(=O)Nc1ccccc1Cl)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide?
The InChIKey is STURDKGNQARSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(10-8-15-9-10)7-6-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18).
What are the key properties of 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide?
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide has a molecular weight of 267.76 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 66186658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).