propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate

C15H19Cl2NO2 — CID 23303182

IUPACpropan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCN1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-9(2)20-15(19)14-6-7-18(14)10(3)12-5-4-11(16)8-13(12)17/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyRQYHJOJFGBHGHT-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.08
Rot. Bonds4

About propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate

propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate (PubChem CID 23303182) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
PubChem CID23303182
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Namepropan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCN1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-9(2)20-15(19)14-6-7-18(14)10(3)12-5-4-11(16)8-13(12)17/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyRQYHJOJFGBHGHT-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(4-chlorophenyl)methyl-methylamino]oxolan-2-one
CID 40141371
3-[(2-Chlorophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 45801125
2-[1-(2,4-Dichloro-5-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65066964
2-[4-[1-(2,4-Dichloro-5-fluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435297
Methyl 1-[(3-chloro-4-fluorophenyl)methyl]azetidine-2-carboxylate
CID 112581401
Ethyl 1-(2,4-dichlorobenzyl)piperidine-4-carboxylate
CID 2056186
Propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate
CID 56684791
Ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate
CID 2838467
Ethyl 1-[(2,4-dichlorophenyl)methyl]-4-methylpiperazine-2-carboxylate
CID 10544471
2-[(2,4-Dichlorophenyl)methyl-methylamino]ethyl 3-oxobutanoate
CID 14425549
1-Methylethyl 1-(phenylmethyl)-2-azetidinecarboxylate
CID 17799441
(2R)-1-[(4-chlorophenyl)methyl]azetidine-2-carboxylic acid
CID 20637831

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate (CID 23303182) is propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate is CC(C)OC(=O)C1CCN1C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
The InChIKey is RQYHJOJFGBHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-9(2)20-15(19)14-6-7-18(14)10(3)12-5-4-11(16)8-13(12)17/h4-5,8-10,14H,6-7H2,1-3H3.
What are the key properties of propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate has a molecular weight of 316.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 23303182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).