N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide

C18H17BrN4O2 — CID 53136998

IUPACN-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide
SMILESCN(C)c1nn(CC(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc12
InChIInChI=1S/C18H17BrN4O2/c1-22(2)17-14-5-3-4-6-15(14)18(25)23(21-17)11-16(24)20-13-9-7-12(19)8-10-13/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYCUOUPQPDAFWOV-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.86
Rot. Bonds4

About N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide

N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide (PubChem CID 53136998) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide
PubChem CID53136998
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide
SMILESCN(C)c1nn(CC(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc12
InChIInChI=1S/C18H17BrN4O2/c1-22(2)17-14-5-3-4-6-15(14)18(25)23(21-17)11-16(24)20-13-9-7-12(19)8-10-13/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYCUOUPQPDAFWOV-UHFFFAOYSA-N
XLogP2.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539285
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
3-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2521570
2-[4-(dimethylamino)-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 166097067
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
3-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2388769

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide (CID 53136998) is N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide is CN(C)c1nn(CC(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is YCUOUPQPDAFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-22(2)17-14-5-3-4-6-15(14)18(25)23(21-17)11-16(24)20-13-9-7-12(19)8-10-13/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide?
N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 401.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 53136998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).