2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide

C13H17Cl2N3O — CID 66181735

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1Cl)C1CNC1
InChIInChI=1S/C13H17Cl2N3O/c1-2-18(9-6-16-7-9)8-12(19)17-11-5-3-4-10(14)13(11)15/h3-5,9,16H,2,6-8H2,1H3,(H,17,19)
InChIKeyQOAJQCNNDLOFET-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.23
Rot. Bonds5

About 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide

2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 66181735) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
PubChem CID66181735
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1Cl)C1CNC1
InChIInChI=1S/C13H17Cl2N3O/c1-2-18(9-6-16-7-9)8-12(19)17-11-5-3-4-10(14)13(11)15/h3-5,9,16H,2,6-8H2,1H3,(H,17,19)
InChIKeyQOAJQCNNDLOFET-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

2-[azetidin-3-yl(propyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66216307
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
2-[azetidin-3-yl(ethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 66181734
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821132
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide (CID 66181735) is 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide is CCN(CC(=O)Nc1cccc(Cl)c1Cl)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is QOAJQCNNDLOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-2-18(9-6-16-7-9)8-12(19)17-11-5-3-4-10(14)13(11)15/h3-5,9,16H,2,6-8H2,1H3,(H,17,19).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide 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 2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 66181735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).