3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide

C13H17Cl2N3O — CID 66185509

IUPAC3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CNC1
InChIInChI=1S/C13H17Cl2N3O/c1-18(9-7-16-8-9)6-5-12(19)17-13-10(14)3-2-4-11(13)15/h2-4,9,16H,5-8H2,1H3,(H,17,19)
InChIKeyGHGCIYRNWUPRIC-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.23
Rot. Bonds5

About 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide

3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 66185509) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID66185509
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CNC1
InChIInChI=1S/C13H17Cl2N3O/c1-18(9-7-16-8-9)6-5-12(19)17-13-10(14)3-2-4-11(13)15/h2-4,9,16H,5-8H2,1H3,(H,17,19)
InChIKeyGHGCIYRNWUPRIC-UHFFFAOYSA-N
XLogP2.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 119921476
N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 60834197
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide (CID 66185509) is 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide is CN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is GHGCIYRNWUPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-18(9-7-16-8-9)6-5-12(19)17-13-10(14)3-2-4-11(13)15/h2-4,9,16H,5-8H2,1H3,(H,17,19).
What are the key properties of 3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 302.20 g/mol, XLogP of 2.23, 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-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 66185509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).