N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide

C18H15Cl2N3O2 — CID 2506129

IUPACN-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C18H15Cl2N3O2/c1-2-9-23-18(25)13-6-4-3-5-12(13)16(22-23)17(24)21-15-10-11(19)7-8-14(15)20/h3-8,10H,2,9H2,1H3,(H,21,24)
InChIKeyHJQNGTXLEKGZDM-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.37
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide

N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 2506129) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID2506129
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C18H15Cl2N3O2/c1-2-9-23-18(25)13-6-4-3-5-12(13)16(22-23)17(24)21-15-10-11(19)7-8-14(15)20/h3-8,10H,2,9H2,1H3,(H,21,24)
InChIKeyHJQNGTXLEKGZDM-UHFFFAOYSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502559
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
3-butyl-N-(2-chloro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 8885989
N-(2-chloro-4-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 2572654
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56530654
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 135811413
N-(4-chloro-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815704
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7924369
N'-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 33222868

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide (CID 2506129) is N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2c1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is HJQNGTXLEKGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-2-9-23-18(25)13-6-4-3-5-12(13)16(22-23)17(24)21-15-10-11(19)7-8-14(15)20/h3-8,10H,2,9H2,1H3,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide?
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 2506129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).