N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H19ClN4O4 — CID 9119044

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19ClN4O4/c1-25(11-18(26)22-16-9-12(21)7-8-17(16)29-2)19(27)10-15-13-5-3-4-6-14(13)20(28)24-23-15/h3-9H,10-11H2,1-2H3,(H,22,26)(H,24,28)
InChIKeyLFZLNXLFNFFFOP-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9119044) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9119044
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19ClN4O4/c1-25(11-18(26)22-16-9-12(21)7-8-17(16)29-2)19(27)10-15-13-5-3-4-6-14(13)20(28)24-23-15/h3-9H,10-11H2,1-2H3,(H,22,26)(H,24,28)
InChIKeyLFZLNXLFNFFFOP-UHFFFAOYSA-N
XLogP2.22
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide 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

4-{2-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10928520
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10994812
5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11092254
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(2-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 758934
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1314910
N-(2,6-Dimethoxy-phenyl)-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 1458010
N-butyl-3-(2-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3245049
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-(2-methoxyethyl)acetamide
CID 9551209
N-(5-Chloro-2-methoxy-phenyl)-3-[(4-hydroxy-benzoyl)-hydrazono]-butyramide
CID 9567146
4-{3-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11081136
2-{[3-(3-Chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[(oxolan-2-YL)methyl]acetamide
CID 11957250

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9119044) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is LFZLNXLFNFFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-25(11-18(26)22-16-9-12(21)7-8-17(16)29-2)19(27)10-15-13-5-3-4-6-14(13)20(28)24-23-15/h3-9H,10-11H2,1-2H3,(H,22,26)(H,24,28).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 414.85 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9119044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).