(3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate

C20H21Cl2N3O4 — CID 71060182

IUPAC(3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate
SMILESCNC(=O)Nc1ccc(OCC2CN(C(=O)OCc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C20H21Cl2N3O4/c1-23-19(26)24-15-3-5-16(6-4-15)28-12-14-9-25(10-14)20(27)29-11-13-2-7-17(21)18(22)8-13/h2-8,14H,9-12H2,1H3,(H2,23,24,26)
InChIKeyCSWUNUZVRBCTJP-UHFFFAOYSA-N
MW438.31 g/mol
LogP4.39
Rot. Bonds6

About (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate

(3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate (PubChem CID 71060182) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate
PubChem CID71060182
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC Name(3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate
SMILESCNC(=O)Nc1ccc(OCC2CN(C(=O)OCc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C20H21Cl2N3O4/c1-23-19(26)24-15-3-5-16(6-4-15)28-12-14-9-25(10-14)20(27)29-11-13-2-7-17(21)18(22)8-13/h2-8,14H,9-12H2,1H3,(H2,23,24,26)
InChIKeyCSWUNUZVRBCTJP-UHFFFAOYSA-N
XLogP4.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 67237810
tert-butyl 3-[(3,4-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271449
(3,4-dichlorophenyl)methyl 4-(propanoylamino)benzoate
CID 1310557
1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 176930014
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
(4-acetamidophenyl)methyl piperidine-1-carboxylate
CID 67794998
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 71060222
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930466

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate (CID 71060182) is (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate is CNC(=O)Nc1ccc(OCC2CN(C(=O)OCc3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate?
The InChIKey is CSWUNUZVRBCTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-23-19(26)24-15-3-5-16(6-4-15)28-12-14-9-25(10-14)20(27)29-11-13-2-7-17(21)18(22)8-13/h2-8,14H,9-12H2,1H3,(H2,23,24,26).
What are the key properties of (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate?
(3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate has a molecular weight of 438.31 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 3-[[4-(methylcarbamoylamino)phenoxy]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 71060182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).