N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide

C19H18BrN3O2 — CID 3673937

IUPACN-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2c1=O
InChIInChI=1S/C19H18BrN3O2/c1-3-10-23-19(25)15-7-5-4-6-14(15)17(22-23)18(24)21-13-8-9-16(20)12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H,21,24)
InChIKeyGGSVZRXXWKAGEF-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.13
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide

N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 3673937) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID3673937
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2c1=O
InChIInChI=1S/C19H18BrN3O2/c1-3-10-23-19(25)15-7-5-4-6-14(15)17(22-23)18(24)21-13-8-9-16(20)12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H,21,24)
InChIKeyGGSVZRXXWKAGEF-UHFFFAOYSA-N
XLogP4.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 5036813
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 2552458
N-[4-(difluoromethylsulfonyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17404809
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 39259943
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
N-(3-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4963988
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
ethyl 4-[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 7926446

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide (CID 3673937) is N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2c1=O.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is GGSVZRXXWKAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-3-10-23-19(25)15-7-5-4-6-14(15)17(22-23)18(24)21-13-8-9-16(20)12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 3673937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).