N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide

C24H28FN3O3 — CID 3235207

IUPACN-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(C(=O)Nc4cccc(F)c4)C3)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-31-21-8-6-18(7-9-21)22(29)27-14-11-24(12-15-27)10-3-13-28(17-24)23(30)26-20-5-2-4-19(25)16-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,26,30)
InChIKeyBELKAXOTZICIMV-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.38
Rot. Bonds3

About N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide

N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 3235207) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID3235207
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC3(CCCN(C(=O)Nc4cccc(F)c4)C3)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-31-21-8-6-18(7-9-21)22(29)27-14-11-24(12-15-27)10-3-13-28(17-24)23(30)26-20-5-2-4-19(25)16-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,26,30)
InChIKeyBELKAXOTZICIMV-UHFFFAOYSA-N
XLogP4.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (CID 3235207) is N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is COc1ccc(C(=O)N2CCC3(CCCN(C(=O)Nc4cccc(F)c4)C3)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is BELKAXOTZICIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-31-21-8-6-18(7-9-21)22(29)27-14-11-24(12-15-27)10-3-13-28(17-24)23(30)26-20-5-2-4-19(25)16-20/h2,4-9,16H,3,10-15,17H2,1H3,(H,26,30).
What are the key properties of N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 3235207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).