N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C21H22F3N3O — CID 24898118

IUPACN-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(F)cc1
InChIInChI=1S/C21H22F3N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28)
InChIKeyUHPCLHOBLVYPFH-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.40
Rot. Bonds2

About N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24898118) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24898118
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC NameN-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(F)cc1
InChIInChI=1S/C21H22F3N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28)
InChIKeyUHPCLHOBLVYPFH-UHFFFAOYSA-N
XLogP4.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24898118) is N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(F)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is UHPCLHOBLVYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-26-13-21(19(26)14-2-4-15(22)5-3-14)6-8-27(9-7-21)20(28)25-18-11-16(23)10-17(24)12-18/h2-5,10-12,19H,6-9,13H2,1H3,(H,25,28).
What are the key properties of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24898118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).