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FBPXCMILIOYERA-UHFFFAOYSA-N

C16H15F3N4O2 — CID 146218483

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

IUPACN-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CN1c1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-9(24)20-6-12-11-5-3-2-4-10(11)8-23(12)13-7-21-22-15(25)14(13)16(17,18)19/h2-5,7,12H,6,8H2,1H3,(H,20,24)(H,22,25)
InChIKeyFBPXCMILIOYERA-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.99
Rot. Bonds3

About FBPXCMILIOYERA-UHFFFAOYSA-N

FBPXCMILIOYERA-UHFFFAOYSA-N (PubChem CID 146218483) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.

Molecular Properties

Compound NameFBPXCMILIOYERA-UHFFFAOYSA-N
PubChem CID146218483
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CN1c1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-9(24)20-6-12-11-5-3-2-4-10(11)8-23(12)13-7-21-22-15(25)14(13)16(17,18)19/h2-5,7,12H,6,8H2,1H3,(H,20,24)(H,22,25)
InChIKeyFBPXCMILIOYERA-UHFFFAOYSA-N
XLogP1.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of FBPXCMILIOYERA-UHFFFAOYSA-N?
The IUPAC name of FBPXCMILIOYERA-UHFFFAOYSA-N (CID 146218483) is N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.
What is the SMILES notation for FBPXCMILIOYERA-UHFFFAOYSA-N?
The canonical SMILES for FBPXCMILIOYERA-UHFFFAOYSA-N is CC(=O)NCC1c2ccccc2CN1c1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of FBPXCMILIOYERA-UHFFFAOYSA-N?
The InChIKey is FBPXCMILIOYERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-9(24)20-6-12-11-5-3-2-4-10(11)8-23(12)13-7-21-22-15(25)14(13)16(17,18)19/h2-5,7,12H,6,8H2,1H3,(H,20,24)(H,22,25).
What are the key properties of FBPXCMILIOYERA-UHFFFAOYSA-N?
FBPXCMILIOYERA-UHFFFAOYSA-N has a molecular weight of 352.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for FBPXCMILIOYERA-UHFFFAOYSA-N is sourced from PubChem (CID 146218483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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