4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide

C23H26FN3O5 — CID 172884472

IUPAC4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCOC3(C2)CN(C(=O)c2ccccc2F)CCO3)c1
InChIInChI=1S/C23H26FN3O5/c1-30-18-7-4-6-17(14-18)25-22(29)27-10-5-12-31-23(16-27)15-26(11-13-32-23)21(28)19-8-2-3-9-20(19)24/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,25,29)
InChIKeySAMCHCLZZUWRJV-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.96
Rot. Bonds3

About 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide

4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide (PubChem CID 172884472) has the molecular formula C23H26FN3O5 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
PubChem CID172884472
Molecular FormulaC23H26FN3O5
Molecular Weight443.48 g/mol
Exact Mass443.19
IUPAC Name4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCOC3(C2)CN(C(=O)c2ccccc2F)CCO3)c1
InChIInChI=1S/C23H26FN3O5/c1-30-18-7-4-6-17(14-18)25-22(29)27-10-5-12-31-23(16-27)15-26(11-13-32-23)21(28)19-8-2-3-9-20(19)24/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,25,29)
InChIKeySAMCHCLZZUWRJV-UHFFFAOYSA-N
XLogP2.96
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-4-(2-fluorobenzoyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884644
4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884750
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
CID 55629643
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318572
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The IUPAC name of 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide (CID 172884472) is 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide.
What is the SMILES notation for 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The canonical SMILES for 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide is COc1cccc(NC(=O)N2CCCOC3(C2)CN(C(=O)c2ccccc2F)CCO3)c1.
What is the InChIKey of 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The InChIKey is SAMCHCLZZUWRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O5/c1-30-18-7-4-6-17(14-18)25-22(29)27-10-5-12-31-23(16-27)15-26(11-13-32-23)21(28)19-8-2-3-9-20(19)24/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,25,29).
What are the key properties of 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide is sourced from PubChem (CID 172884472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).