3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide

C26H28Cl2N2O2 — CID 167069098

IUPAC3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide
SMILESCC1CC2=CCC(NC(=O)N3CC(OC(c4ccccc4Cl)c4ccccc4Cl)C3)(C2)C1
InChIInChI=1S/C26H28Cl2N2O2/c1-17-12-18-10-11-26(13-17,14-18)29-25(31)30-15-19(16-30)32-24(20-6-2-4-8-22(20)27)21-7-3-5-9-23(21)28/h2-10,17,19,24H,11-16H2,1H3,(H,29,31)
InChIKeyDUUQXINHVDKZFZ-UHFFFAOYSA-N
MW471.43 g/mol
LogP6.38
Rot. Bonds5

About 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide

3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide (PubChem CID 167069098) has the molecular formula C26H28Cl2N2O2 and a molecular weight of 471.43 g/mol. Its IUPAC name is 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide
PubChem CID167069098
Molecular FormulaC26H28Cl2N2O2
Molecular Weight471.43 g/mol
Exact Mass470.15
IUPAC Name3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide
SMILESCC1CC2=CCC(NC(=O)N3CC(OC(c4ccccc4Cl)c4ccccc4Cl)C3)(C2)C1
InChIInChI=1S/C26H28Cl2N2O2/c1-17-12-18-10-11-26(13-17,14-18)29-25(31)30-15-19(16-30)32-24(20-6-2-4-8-22(20)27)21-7-3-5-9-23(21)28/h2-10,17,19,24H,11-16H2,1H3,(H,29,31)
InChIKeyDUUQXINHVDKZFZ-UHFFFAOYSA-N
XLogP6.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68942165
N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68904220
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
CID 11166483
N-(1-adamantyl)-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11167996
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 11235898
3-[bis(2-chlorophenyl)methoxy]azetidine
CID 68907853
1-[[1-(2-chlorophenyl)-1-methoxypropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123510
3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 142774735
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
3-[[4-[4-[[1-(tert-butylcarbamoyl)azetidin-3-yl]oxy-(4-methoxyphenyl)methyl]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methoxy]-N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)azetidine-1-carboxamide
CID 176925491
(2R)-2-(2-chlorophenyl)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]acetic acid
CID 107316188

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide (CID 167069098) is 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide is CC1CC2=CCC(NC(=O)N3CC(OC(c4ccccc4Cl)c4ccccc4Cl)C3)(C2)C1.
What is the InChIKey of 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide?
The InChIKey is DUUQXINHVDKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O2/c1-17-12-18-10-11-26(13-17,14-18)29-25(31)30-15-19(16-30)32-24(20-6-2-4-8-22(20)27)21-7-3-5-9-23(21)28/h2-10,17,19,24H,11-16H2,1H3,(H,29,31).
What are the key properties of 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide?
3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide has a molecular weight of 471.43 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide is sourced from PubChem (CID 167069098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).