N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

C23H18ClN3O4 — CID 26884366

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(OC)cc1Cl
InChIInChI=1S/C23H18ClN3O4/c1-30-19-13-18(20(31-2)12-17(19)24)25-22(28)21-15-10-6-7-11-16(15)23(29)27(26-21)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,25,28)
InChIKeyZAJZDWABKDOEHX-UHFFFAOYSA-N
MW435.87 g/mol
LogP4.31
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 26884366) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID26884366
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(OC)cc1Cl
InChIInChI=1S/C23H18ClN3O4/c1-30-19-13-18(20(31-2)12-17(19)24)25-22(28)21-15-10-6-7-11-16(15)23(29)27(26-21)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,25,28)
InChIKeyZAJZDWABKDOEHX-UHFFFAOYSA-N
XLogP4.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 30671113
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 16562200
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3612931
4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 35202250
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (CID 26884366) is N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is COc1cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is ZAJZDWABKDOEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c1-30-19-13-18(20(31-2)12-17(19)24)25-22(28)21-15-10-6-7-11-16(15)23(29)27(26-21)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 435.87 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 26884366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).