N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C23H17F2N3O4 — CID 24576066

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3n[nH]c(=O)c4ccccc34)ccc2OC(F)F)cc1
InChIInChI=1S/C23H17F2N3O4/c1-31-15-9-6-13(7-10-15)18-12-14(8-11-19(18)32-23(24)25)26-22(30)20-16-4-2-3-5-17(16)21(29)28-27-20/h2-12,23H,1H3,(H,26,30)(H,28,29)
InChIKeyAFLBRLBXYHAQHI-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.45
Rot. Bonds6

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 24576066) has the molecular formula C23H17F2N3O4 and a molecular weight of 437.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID24576066
Molecular FormulaC23H17F2N3O4
Molecular Weight437.40 g/mol
Exact Mass437.12
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3n[nH]c(=O)c4ccccc34)ccc2OC(F)F)cc1
InChIInChI=1S/C23H17F2N3O4/c1-31-15-9-6-13(7-10-15)18-12-14(8-11-19(18)32-23(24)25)26-22(30)20-16-4-2-3-5-17(16)21(29)28-27-20/h2-12,23H,1H3,(H,26,30)(H,28,29)
InChIKeyAFLBRLBXYHAQHI-UHFFFAOYSA-N
XLogP4.45
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
CID 51939888
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55369477
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 24576066) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is COc1ccc(-c2cc(NC(=O)c3n[nH]c(=O)c4ccccc34)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is AFLBRLBXYHAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4/c1-31-15-9-6-13(7-10-15)18-12-14(8-11-19(18)32-23(24)25)26-22(30)20-16-4-2-3-5-17(16)21(29)28-27-20/h2-12,23H,1H3,(H,26,30)(H,28,29).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 437.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 24576066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).