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

C23H26BrFN4O2 — CID 53393906

IUPAC2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1
InChIInChI=1S/C23H26BrFN4O2/c24-20-7-2-1-4-17(20)14-21(30)26-10-13-28-11-8-23(9-12-28)22(31)27-16-29(23)19-6-3-5-18(25)15-19/h1-7,15H,8-14,16H2,(H,26,30)(H,27,31)
InChIKeyXYZIFYOWQUDXKT-UHFFFAOYSA-N
MW489.39 g/mol
LogP2.68
Rot. Bonds6

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

2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide (PubChem CID 53393906) has the molecular formula C23H26BrFN4O2 and a molecular weight of 489.39 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide
PubChem CID53393906
Molecular FormulaC23H26BrFN4O2
Molecular Weight489.39 g/mol
Exact Mass488.12
IUPAC Name2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide
SMILESO=C(Cc1ccccc1Br)NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1
InChIInChI=1S/C23H26BrFN4O2/c24-20-7-2-1-4-17(20)14-21(30)26-10-13-28-11-8-23(9-12-28)22(31)27-16-29(23)19-6-3-5-18(25)15-19/h1-7,15H,8-14,16H2,(H,26,30)(H,27,31)
InChIKeyXYZIFYOWQUDXKT-UHFFFAOYSA-N
XLogP2.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 56593077
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46939675
2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428990
N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-2-methyl-N-(2-methylbenzoyl)benzamide;2,2,2-trifluoroacetic acid
CID 53393901
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
2-amino-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;hydrate;hydrochloride
CID 21428955
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide
CID 21428867
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 46939578
2-amino-N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 21428870
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 46939229

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide (CID 53393906) is 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide is O=C(Cc1ccccc1Br)NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide?
The InChIKey is XYZIFYOWQUDXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrFN4O2/c24-20-7-2-1-4-17(20)14-21(30)26-10-13-28-11-8-23(9-12-28)22(31)27-16-29(23)19-6-3-5-18(25)15-19/h1-7,15H,8-14,16H2,(H,26,30)(H,27,31).
What are the key properties of 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide?
2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide has a molecular weight of 489.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]acetamide is sourced from PubChem (CID 53393906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).