3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide

C24H27Cl2N3O3 — CID 68907005

IUPAC3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide
SMILESO=C1CCCN1CCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C24H27Cl2N3O3/c25-18-10-8-17(9-11-18)23(20-5-1-2-6-21(20)26)32-19-15-29(16-19)24(31)27-12-4-14-28-13-3-7-22(28)30/h1-2,5-6,8-11,19,23H,3-4,7,12-16H2,(H,27,31)
InChIKeyGNGMCASPZWBYDI-UHFFFAOYSA-N
MW476.40 g/mol
LogP4.51
Rot. Bonds8

About 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide

3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide (PubChem CID 68907005) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide
PubChem CID68907005
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC Name3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide
SMILESO=C1CCCN1CCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C24H27Cl2N3O3/c25-18-10-8-17(9-11-18)23(20-5-1-2-6-21(20)26)32-19-15-29(16-19)24(31)27-12-4-14-28-13-3-7-22(28)30/h1-2,5-6,8-11,19,23H,3-4,7,12-16H2,(H,27,31)
InChIKeyGNGMCASPZWBYDI-UHFFFAOYSA-N
XLogP4.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 54.51
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

1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}pyrrolidin-2-one monohydrochloride
CID 66976296
3-(4,4'-dichlorobenzhydryloxy)-N-(tert-butyl)azetidine-1-carboxamide
CID 68904215
N-[(R)-2-(3-butoxy-3-phenylazetidin-1-yl)-1-(2,4-dichlorobenzyl)-2-oxoethyl]-3-(1H-imidazol-4-yl)propionamide
CID 138403850
[3-[(2-Chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 11441515
1-[2-[Bis(4-chlorophenyl)methoxy]ethyl]pyrrolidin-2-one
CID 11726266
3-[2-(trifluoromethyl)-4'-chlorobenzhydryloxy]-N-(n-butyl)azetidine-1-carboxamide
CID 11374080
N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
CID 170655911
1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine
CID 66563697
5-[Bis(4-chlorophenyl)methoxy]pyrrolidin-2-one
CID 155805947
3-[bis(4-chlorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide
CID 9800607
3-[bis(4-chlorophenyl)methoxy]-N-(2-hydroxypropyl)azetidine-1-carboxamide
CID 9866195
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
CID 11166483

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide (CID 68907005) is 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide is O=C1CCCN1CCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide?
The InChIKey is GNGMCASPZWBYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c25-18-10-8-17(9-11-18)23(20-5-1-2-6-21(20)26)32-19-15-29(16-19)24(31)27-12-4-14-28-13-3-7-22(28)30/h1-2,5-6,8-11,19,23H,3-4,7,12-16H2,(H,27,31).
What are the key properties of 3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide?
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide has a molecular weight of 476.40 g/mol, XLogP of 4.51, 8 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-(2-oxopyrrolidin-1-yl)propyl]azetidine-1-carboxamide is sourced from PubChem (CID 68907005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).