N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide

C17H13BrClN3O2 — CID 7924369

IUPACN-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H13BrClN3O2/c1-2-22-17(24)12-6-4-3-5-11(12)15(21-22)16(23)20-14-8-7-10(18)9-13(14)19/h3-9H,2H2,1H3,(H,20,23)
InChIKeyWNONSZDNXOXNFR-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.08
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide

N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 7924369) has the molecular formula C17H13BrClN3O2 and a molecular weight of 406.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID7924369
Molecular FormulaC17H13BrClN3O2
Molecular Weight406.67 g/mol
Exact Mass404.99
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H13BrClN3O2/c1-2-22-17(24)12-6-4-3-5-11(12)15(21-22)16(23)20-14-8-7-10(18)9-13(14)19/h3-9H,2H2,1H3,(H,20,23)
InChIKeyWNONSZDNXOXNFR-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
N-(2-chloro-4-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 2572654
3-butyl-N-(2-chloro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 8885989
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56530654
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224
N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55611056
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 40829582
3-benzyl-N-(2-bromo-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3450675
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123476

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide (CID 7924369) is N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is WNONSZDNXOXNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O2/c1-2-22-17(24)12-6-4-3-5-11(12)15(21-22)16(23)20-14-8-7-10(18)9-13(14)19/h3-9H,2H2,1H3,(H,20,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 406.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 7924369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).