3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide

C24H24F3N3O2 — CID 69151103

IUPAC3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc2c(Cc3ccccc3C(F)(F)F)n[nH]c(=O)c2c1
InChIInChI=1S/C24H24F3N3O2/c25-24(26,27)20-8-4-3-7-16(20)13-21-18-11-10-17(14-19(18)23(32)30-29-21)28-22(31)12-9-15-5-1-2-6-15/h3-4,7-8,10-11,14-15H,1-2,5-6,9,12-13H2,(H,28,31)(H,30,32)
InChIKeyMPOHNHLBDWMMHC-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.44
Rot. Bonds6

About 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide

3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide (PubChem CID 69151103) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide
PubChem CID69151103
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc2c(Cc3ccccc3C(F)(F)F)n[nH]c(=O)c2c1
InChIInChI=1S/C24H24F3N3O2/c25-24(26,27)20-8-4-3-7-16(20)13-21-18-11-10-17(14-19(18)23(32)30-29-21)28-22(31)12-9-15-5-1-2-6-15/h3-4,7-8,10-11,14-15H,1-2,5-6,9,12-13H2,(H,28,31)(H,30,32)
InChIKeyMPOHNHLBDWMMHC-UHFFFAOYSA-N
XLogP5.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-cyclopentyl-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)propanamide
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5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide (CID 69151103) is 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide is O=C(CCC1CCCC1)Nc1ccc2c(Cc3ccccc3C(F)(F)F)n[nH]c(=O)c2c1.
What is the InChIKey of 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide?
The InChIKey is MPOHNHLBDWMMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c25-24(26,27)20-8-4-3-7-16(20)13-21-18-11-10-17(14-19(18)23(32)30-29-21)28-22(31)12-9-15-5-1-2-6-15/h3-4,7-8,10-11,14-15H,1-2,5-6,9,12-13H2,(H,28,31)(H,30,32).
What are the key properties of 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide?
3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide has a molecular weight of 443.47 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-phthalazin-6-yl]propanamide is sourced from PubChem (CID 69151103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).