4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

C27H31F2N7O2 — CID 10459436

IUPAC4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C27H31F2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(20-8-9-21(28)22(29)14-20)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37)
InChIKeyMVSZGXPGZVTGHR-UHFFFAOYSA-N
MW523.59 g/mol
LogP5.15
Rot. Bonds5

About 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 10459436) has the molecular formula C27H31F2N7O2 and a molecular weight of 523.59 g/mol. Its IUPAC name is 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID10459436
Molecular FormulaC27H31F2N7O2
Molecular Weight523.59 g/mol
Exact Mass523.25
IUPAC Name4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C27H31F2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(20-8-9-21(28)22(29)14-20)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37)
InChIKeyMVSZGXPGZVTGHR-UHFFFAOYSA-N
XLogP5.15
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide with MolForge

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Related Compounds

4-[8-tert-Butyl-3-(3,5-dichloro-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 10007881
4-[8-tert-Butyl-3-(3-chloro-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 10052441
4-(8-tert-Butyl-3-cyclohexyl-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl)-N-(2H-tetrazol-5-yl)-benzamide
CID 10323446
4-[8-tert-Butyl-3-(4-chloro-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 10346647
4-(8-tert-Butyl-2-oxo-3-phenyl-1,3-diaza-spiro[4.5]dec-1-ylmethyl)-N-(2H-tetrazol-5-yl)-benzamide
CID 10435562
4-[8-tert-Butyl-3-(2,4-dichloro-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 10437700
4-[8-tert-Butyl-3-(2-chloro-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 10481840
4-[[2-(4-tert-butylphenyl)imino-4-ethyl-3-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11421820
4-[3-(4-Bromo-phenyl)-8-tert-butyl-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 11757662
4-[8-tert-Butyl-3-(4-fluoro-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 44404222
4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethyl-phenyl)-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
CID 44404227
4-(8-tert-Butyl-2-oxo-3-p-tolyl-1,3-diaza-spiro[4.5]dec-1-ylmethyl)-N-(2H-tetrazol-5-yl)-benzamide
CID 44404234

Frequently Asked Questions

What is the IUPAC name of 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 10459436) is 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is MVSZGXPGZVTGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(20-8-9-21(28)22(29)14-20)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37).
What are the key properties of 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 523.59 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-tert-butyl-3-(3,4-difluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 10459436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).