3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide

C22H26Cl2N2O3 — CID 11166483

IUPAC3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
SMILESCCOCCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C22H26Cl2N2O3/c1-2-28-13-5-12-25-22(27)26-14-18(15-26)29-21(16-8-10-17(23)11-9-16)19-6-3-4-7-20(19)24/h3-4,6-11,18,21H,2,5,12-15H2,1H3,(H,25,27)
InChIKeyMETUDFXYNOQTNR-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.92
Rot. Bonds9

About 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide

3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide (PubChem CID 11166483) has the molecular formula C22H26Cl2N2O3 and a molecular weight of 437.37 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
PubChem CID11166483
Molecular FormulaC22H26Cl2N2O3
Molecular Weight437.37 g/mol
Exact Mass436.13
IUPAC Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
SMILESCCOCCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C22H26Cl2N2O3/c1-2-28-13-5-12-25-22(27)26-14-18(15-26)29-21(16-8-10-17(23)11-9-16)19-6-3-4-7-20(19)24/h3-4,6-11,18,21H,2,5,12-15H2,1H3,(H,25,27)
InChIKeyMETUDFXYNOQTNR-UHFFFAOYSA-N
XLogP4.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 11235898
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 142774735
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine;hydrochloride
CID 68902343
1-[1-(2-chlorophenyl)ethyl]-3-(3-ethoxypropyl)thiourea
CID 115570564
N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68904220
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477
4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 86998780
4-[4-[(2-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoic acid;hydrochloride
CID 67831658
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide (CID 11166483) is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide is CCOCCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide?
The InChIKey is METUDFXYNOQTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3/c1-2-28-13-5-12-25-22(27)26-14-18(15-26)29-21(16-8-10-17(23)11-9-16)19-6-3-4-7-20(19)24/h3-4,6-11,18,21H,2,5,12-15H2,1H3,(H,25,27).
What are the key properties of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide?
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide has a molecular weight of 437.37 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide is sourced from PubChem (CID 11166483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).