N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide

C17H21Cl2N3O3 — CID 23140022

IUPACN-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C17H21Cl2N3O3/c18-12-7-13(19)9-14(8-12)20-16(23)22-10-15(11-22)21-3-1-17(2-4-21)24-5-6-25-17/h7-9,15H,1-6,10-11H2,(H,20,23)
InChIKeyJVJUCICVHGSEPW-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.05
Rot. Bonds2

About N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide

N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide (PubChem CID 23140022) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
PubChem CID23140022
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC NameN-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C17H21Cl2N3O3/c18-12-7-13(19)9-14(8-12)20-16(23)22-10-15(11-22)21-3-1-17(2-4-21)24-5-6-25-17/h7-9,15H,1-6,10-11H2,(H,20,23)
InChIKeyJVJUCICVHGSEPW-UHFFFAOYSA-N
XLogP3.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 23140398
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140589
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 74233056
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide (CID 23140022) is N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CC(N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
The InChIKey is JVJUCICVHGSEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c18-12-7-13(19)9-14(8-12)20-16(23)22-10-15(11-22)21-3-1-17(2-4-21)24-5-6-25-17/h7-9,15H,1-6,10-11H2,(H,20,23).
What are the key properties of N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide?
N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23140022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).