2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F4N4O2 — CID 134540380

IUPAC2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CN(c2cccc(F)c2)C2(CCN(Cc3ccccc3)CC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C24H26F4N4O2/c25-19-7-4-8-20(13-19)32-17-31(15-21(33)29-16-24(26,27)28)22(34)23(32)9-11-30(12-10-23)14-18-5-2-1-3-6-18/h1-8,13H,9-12,14-17H2,(H,29,33)
InChIKeyOMTXJFRMHWIAKV-UHFFFAOYSA-N
MW478.49 g/mol
LogP3.15
Rot. Bonds6

About 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 134540380) has the molecular formula C24H26F4N4O2 and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID134540380
Molecular FormulaC24H26F4N4O2
Molecular Weight478.49 g/mol
Exact Mass478.20
IUPAC Name2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CN(c2cccc(F)c2)C2(CCN(Cc3ccccc3)CC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C24H26F4N4O2/c25-19-7-4-8-20(13-19)32-17-31(15-21(33)29-16-24(26,27)28)22(34)23(32)9-11-30(12-10-23)14-18-5-2-1-3-6-18/h1-8,13H,9-12,14-17H2,(H,29,33)
InChIKeyOMTXJFRMHWIAKV-UHFFFAOYSA-N
XLogP3.15
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-benzyl-1-(3-chloro-5-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 134540480
2-(1'-benzyl-4-bromo-7-fluoro-2-oxospiro[indole-3,4'-piperidine]-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323651
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 3530304
2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3614931
2-[8-(3-chloro-2,2-dimethylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3289013
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3901695
N-[(4-fluorophenyl)methyl]-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5012251
4-anilino-8-benzyl-1-(3-fluorophenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58950001
N-benzyl-3-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3885077
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 5100018
3-[[8-[4-(4-fluorophenyl)butyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoic acid
CID 66652156
N-benzyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5227394

Frequently Asked Questions

What is the IUPAC name of 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 134540380) is 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CN(c2cccc(F)c2)C2(CCN(Cc3ccccc3)CC2)C1=O)NCC(F)(F)F.
What is the InChIKey of 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OMTXJFRMHWIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O2/c25-19-7-4-8-20(13-19)32-17-31(15-21(33)29-16-24(26,27)28)22(34)23(32)9-11-30(12-10-23)14-18-5-2-1-3-6-18/h1-8,13H,9-12,14-17H2,(H,29,33).
What are the key properties of 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 478.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-benzyl-1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 134540380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).