3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide

C12H15Cl2N3O — CID 65249558

IUPAC3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
SMILESNC1CN(CCC(=O)Nc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H15Cl2N3O/c13-9-2-1-3-10(14)12(9)16-11(18)4-5-17-6-8(15)7-17/h1-3,8H,4-7,15H2,(H,16,18)
InChIKeyRVAROTMJNMXOEN-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.96
Rot. Bonds4

About 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide

3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 65249558) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
PubChem CID65249558
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
SMILESNC1CN(CCC(=O)Nc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H15Cl2N3O/c13-9-2-1-3-10(14)12(9)16-11(18)4-5-17-6-8(15)7-17/h1-3,8H,4-7,15H2,(H,16,18)
InChIKeyRVAROTMJNMXOEN-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 120760551
N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62372087
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526318
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
N-(2,6-dichlorophenyl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24589344
N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 56526817
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2,6-dichlorophenyl)-3-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936983
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide (CID 65249558) is 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide is NC1CN(CCC(=O)Nc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is RVAROTMJNMXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-9-2-1-3-10(14)12(9)16-11(18)4-5-17-6-8(15)7-17/h1-3,8H,4-7,15H2,(H,16,18).
What are the key properties of 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide?
3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 288.18 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 65249558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).