2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide

C20H19ClN4O3 — CID 55674390

IUPAC2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H19ClN4O3/c1-12-14-6-4-5-7-15(14)20(28)25(23-12)11-18(26)22-13-8-9-17(21)16(10-13)19(27)24(2)3/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyLCMKUEWIUCQLPE-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide

2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide (PubChem CID 55674390) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
PubChem CID55674390
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H19ClN4O3/c1-12-14-6-4-5-7-15(14)20(28)25(23-12)11-18(26)22-13-8-9-17(21)16(10-13)19(27)24(2)3/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyLCMKUEWIUCQLPE-UHFFFAOYSA-N
XLogP2.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide (CID 55674390) is 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide is Cc1nn(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c(=O)c2ccccc12.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The InChIKey is LCMKUEWIUCQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-14-6-4-5-7-15(14)20(28)25(23-12)11-18(26)22-13-8-9-17(21)16(10-13)19(27)24(2)3/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide has a molecular weight of 398.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55674390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).