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PFPXIIGXRXHJNO-UHFFFAOYSA-N

C23H25F3N4O2 — CID 25105714

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N4O2/c24-23(25,26)18-8-6-17(7-9-18)20(31)27-12-15-29-13-10-22(11-14-29)21(32)28-16-30(22)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,27,31)(H,28,32)
InChIKeyPFPXIIGXRXHJNO-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.86
Rot. Bonds5

About PFPXIIGXRXHJNO-UHFFFAOYSA-N

PFPXIIGXRXHJNO-UHFFFAOYSA-N (PubChem CID 25105714) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NamePFPXIIGXRXHJNO-UHFFFAOYSA-N
PubChem CID25105714
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N4O2/c24-23(25,26)18-8-6-17(7-9-18)20(31)27-12-15-29-13-10-22(11-14-29)21(32)28-16-30(22)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,27,31)(H,28,32)
InChIKeyPFPXIIGXRXHJNO-UHFFFAOYSA-N
XLogP2.86
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of PFPXIIGXRXHJNO-UHFFFAOYSA-N?
The IUPAC name of PFPXIIGXRXHJNO-UHFFFAOYSA-N (CID 25105714) is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for PFPXIIGXRXHJNO-UHFFFAOYSA-N?
The canonical SMILES for PFPXIIGXRXHJNO-UHFFFAOYSA-N is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of PFPXIIGXRXHJNO-UHFFFAOYSA-N?
The InChIKey is PFPXIIGXRXHJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c24-23(25,26)18-8-6-17(7-9-18)20(31)27-12-15-29-13-10-22(11-14-29)21(32)28-16-30(22)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,27,31)(H,28,32).
What are the key properties of PFPXIIGXRXHJNO-UHFFFAOYSA-N?
PFPXIIGXRXHJNO-UHFFFAOYSA-N has a molecular weight of 446.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for PFPXIIGXRXHJNO-UHFFFAOYSA-N is sourced from PubChem (CID 25105714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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