3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide

C23H28Cl2N2O2 — CID 11235898

IUPAC3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
SMILESCCCCCN(C)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C23H28Cl2N2O2/c1-3-4-7-14-26(2)23(28)27-15-19(16-27)29-22(17-10-12-18(24)13-11-17)20-8-5-6-9-21(20)25/h5-6,8-13,19,22H,3-4,7,14-16H2,1-2H3
InChIKeyMURFQOBLBDLEPH-UHFFFAOYSA-N
MW435.40 g/mol
LogP6.03
Rot. Bonds8

About 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide

3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide (PubChem CID 11235898) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
PubChem CID11235898
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
SMILESCCCCCN(C)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C23H28Cl2N2O2/c1-3-4-7-14-26(2)23(28)27-15-19(16-27)29-22(17-10-12-18(24)13-11-17)20-8-5-6-9-21(20)25/h5-6,8-13,19,22H,3-4,7,14-16H2,1-2H3
InChIKeyMURFQOBLBDLEPH-UHFFFAOYSA-N
XLogP6.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide (CID 11235898) is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide is CCCCCN(C)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide?
The InChIKey is MURFQOBLBDLEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-3-4-7-14-26(2)23(28)27-15-19(16-27)29-22(17-10-12-18(24)13-11-17)20-8-5-6-9-21(20)25/h5-6,8-13,19,22H,3-4,7,14-16H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide?
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide is sourced from PubChem (CID 11235898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).