N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide

C24H26Cl2N2O2 — CID 68904220

IUPACN-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
SMILESO=C(NC12CCC(CC1)C2)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H26Cl2N2O2/c25-19-5-1-17(2-6-19)22(18-3-7-20(26)8-4-18)30-21-14-28(15-21)23(29)27-24-11-9-16(13-24)10-12-24/h1-8,16,21-22H,9-15H2,(H,27,29)
InChIKeyXPTWIGBCHGWRCY-UHFFFAOYSA-N
MW445.39 g/mol
LogP5.83
Rot. Bonds5

About N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide

N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide (PubChem CID 68904220) has the molecular formula C24H26Cl2N2O2 and a molecular weight of 445.39 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
PubChem CID68904220
Molecular FormulaC24H26Cl2N2O2
Molecular Weight445.39 g/mol
Exact Mass444.14
IUPAC NameN-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
SMILESO=C(NC12CCC(CC1)C2)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H26Cl2N2O2/c25-19-5-1-17(2-6-19)22(18-3-7-20(26)8-4-18)30-21-14-28(15-21)23(29)27-24-11-9-16(13-24)10-12-24/h1-8,16,21-22H,9-15H2,(H,27,29)
InChIKeyXPTWIGBCHGWRCY-UHFFFAOYSA-N
XLogP5.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide
CID 68905973
N-(1-adamantyl)-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11167996
N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68942165
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
CID 11166483
3-[bis(2-chlorophenyl)methoxy]-N-(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)azetidine-1-carboxamide
CID 167069098
3-[[4-[4-[[1-(tert-butylcarbamoyl)azetidin-3-yl]oxy-(4-methylphenyl)methyl]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-(4-methylphenyl)methoxy]-N-(3,6-dimethyl-1-bicyclo[3.2.2]nonanyl)azetidine-1-carboxamide
CID 167079141
[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 57401755
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
N-(3-ethyl-3-bicyclo[3.2.1]octanyl)-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 167069069
6-benzyl-N-(1-bicyclo[2.2.1]heptanyl)-5-(4-chlorophenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 24873452

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide (CID 68904220) is N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide is O=C(NC12CCC(CC1)C2)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
The InChIKey is XPTWIGBCHGWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O2/c25-19-5-1-17(2-6-19)22(18-3-7-20(26)8-4-18)30-21-14-28(15-21)23(29)27-24-11-9-16(13-24)10-12-24/h1-8,16,21-22H,9-15H2,(H,27,29).
What are the key properties of N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide?
N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 68904220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).