N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C16H12BrN3O2 — CID 3525242

IUPACN-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(Br)c2)c2ccccc2c1=O
InChIInChI=1S/C16H12BrN3O2/c1-20-16(22)13-8-3-2-7-12(13)14(19-20)15(21)18-11-6-4-5-10(17)9-11/h2-9H,1H3,(H,18,21)
InChIKeyXSHZOCGGGXZFDT-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.95
Rot. Bonds2

About N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 3525242) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID3525242
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(Br)c2)c2ccccc2c1=O
InChIInChI=1S/C16H12BrN3O2/c1-20-16(22)13-8-3-2-7-12(13)14(19-20)15(21)18-11-6-4-5-10(17)9-11/h2-9H,1H3,(H,18,21)
InChIKeyXSHZOCGGGXZFDT-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 8699316
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4798591
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 56530576

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 3525242) is N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2cccc(Br)c2)c2ccccc2c1=O.
What is the InChIKey of N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is XSHZOCGGGXZFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-20-16(22)13-8-3-2-7-12(13)14(19-20)15(21)18-11-6-4-5-10(17)9-11/h2-9H,1H3,(H,18,21).
What are the key properties of N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3525242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).