3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide

C21H25ClN2O3 — CID 166613410

IUPAC3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCOCCOc1ccc(CNC(=O)C2(Cc3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-26-10-11-27-19-8-4-17(5-9-19)13-24-20(25)21(14-23-15-21)12-16-2-6-18(22)7-3-16/h2-9,23H,10-15H2,1H3,(H,24,25)
InChIKeyNDWGALNZYQONAK-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.81
Rot. Bonds9

About 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide

3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide (PubChem CID 166613410) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide
PubChem CID166613410
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide
SMILESCOCCOc1ccc(CNC(=O)C2(Cc3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-26-10-11-27-19-8-4-17(5-9-19)13-24-20(25)21(14-23-15-21)12-16-2-6-18(22)7-3-16/h2-9,23H,10-15H2,1H3,(H,24,25)
InChIKeyNDWGALNZYQONAK-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 71158967
methyl 1-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184435
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
CID 119317662
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide (CID 166613410) is 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide is COCCOc1ccc(CNC(=O)C2(Cc3ccc(Cl)cc3)CNC2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is NDWGALNZYQONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-10-11-27-19-8-4-17(5-9-19)13-24-20(25)21(14-23-15-21)12-16-2-6-18(22)7-3-16/h2-9,23H,10-15H2,1H3,(H,24,25).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide?
3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 166613410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).