N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

C24H29F2N3O2 — CID 143644099

IUPACN-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)CN1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C24H29F2N3O2/c1-16(2)14-29-15-24(22(29)17-3-6-19(30)7-4-17)9-11-28(12-10-24)23(31)27-18-5-8-20(25)21(26)13-18/h3-8,13,16,22,30H,9-12,14-15H2,1-2H3,(H,27,31)
InChIKeyWLQVSAPHHJRVHY-UHFFFAOYSA-N
MW429.51 g/mol
LogP5.00
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 143644099) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID143644099
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC NameN-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)CN1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C24H29F2N3O2/c1-16(2)14-29-15-24(22(29)17-3-6-19(30)7-4-17)9-11-28(12-10-24)23(31)27-18-5-8-20(25)21(26)13-18/h3-8,13,16,22,30H,9-12,14-15H2,1-2H3,(H,27,31)
InChIKeyWLQVSAPHHJRVHY-UHFFFAOYSA-N
XLogP5.00
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

methyl 2-[[3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]acetate;propane
CID 143644243
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
(3aR,8aS)-N-(3,4-difluorophenyl)-6-(2-methylpropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 155877141
N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24898115
3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24899767
3-(4-bromophenyl)-N-(3,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24897253
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-[(3-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 70306745
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24829606
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(3,4-difluorophenyl)-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3928426

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 143644099) is N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)CN1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)C1c1ccc(O)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is WLQVSAPHHJRVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c1-16(2)14-29-15-24(22(29)17-3-6-19(30)7-4-17)9-11-28(12-10-24)23(31)27-18-5-8-20(25)21(26)13-18/h3-8,13,16,22,30H,9-12,14-15H2,1-2H3,(H,27,31).
What are the key properties of N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 143644099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).