N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide

C23H16BrF2N3O3 — CID 67160049

IUPACN-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
SMILESCOc1ccc(-c2nn(NC(=O)Cc3cc(F)cc(F)c3)c(=O)c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H16BrF2N3O3/c1-32-18-5-2-14(3-6-18)22-20-11-15(24)4-7-19(20)23(31)29(28-22)27-21(30)10-13-8-16(25)12-17(26)9-13/h2-9,11-12H,10H2,1H3,(H,27,30)
InChIKeyOTUZXXYCHDWVIU-UHFFFAOYSA-N
MW500.30 g/mol
LogP4.43
Rot. Bonds5

About N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide

N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 67160049) has the molecular formula C23H16BrF2N3O3 and a molecular weight of 500.30 g/mol. Its IUPAC name is N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
PubChem CID67160049
Molecular FormulaC23H16BrF2N3O3
Molecular Weight500.30 g/mol
Exact Mass499.03
IUPAC NameN-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
SMILESCOc1ccc(-c2nn(NC(=O)Cc3cc(F)cc(F)c3)c(=O)c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H16BrF2N3O3/c1-32-18-5-2-14(3-6-18)22-20-11-15(24)4-7-19(20)23(31)29(28-22)27-21(30)10-13-8-16(25)12-17(26)9-13/h2-9,11-12H,10H2,1H3,(H,27,30)
InChIKeyOTUZXXYCHDWVIU-UHFFFAOYSA-N
XLogP4.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide (CID 67160049) is N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide is COc1ccc(-c2nn(NC(=O)Cc3cc(F)cc(F)c3)c(=O)c3ccc(Br)cc23)cc1.
What is the InChIKey of N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is OTUZXXYCHDWVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrF2N3O3/c1-32-18-5-2-14(3-6-18)22-20-11-15(24)4-7-19(20)23(31)29(28-22)27-21(30)10-13-8-16(25)12-17(26)9-13/h2-9,11-12H,10H2,1H3,(H,27,30).
What are the key properties of N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 500.30 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 67160049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).