N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide

C20H19ClN4O3 — CID 55799265

IUPACN-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C20H19ClN4O3/c1-3-18(26)22-12-8-9-15(21)17(10-12)23-19(27)11-16-13-6-4-5-7-14(13)20(28)25(2)24-16/h4-10H,3,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOLBVHQFZUUMYDC-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.12
Rot. Bonds5

About N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide

N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide (PubChem CID 55799265) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
PubChem CID55799265
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C20H19ClN4O3/c1-3-18(26)22-12-8-9-15(21)17(10-12)23-19(27)11-16-13-6-4-5-7-14(13)20(28)25(2)24-16/h4-10H,3,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOLBVHQFZUUMYDC-UHFFFAOYSA-N
XLogP3.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 56761805
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 70850909
N-(1,3-benzoxazol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552259
N-[4-[(3,4-dichlorophenyl)-(2-hydroxyethyl)sulfamoyl]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17308350

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide (CID 55799265) is N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is OLBVHQFZUUMYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-3-18(26)22-12-8-9-15(21)17(10-12)23-19(27)11-16-13-6-4-5-7-14(13)20(28)25(2)24-16/h4-10H,3,11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide has a molecular weight of 398.85 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 55799265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).