N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C18H17N3O3 — CID 2083338

IUPACN-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-11-7-12(2)9-13(8-11)19-16(22)10-21-18(24)15-6-4-3-5-14(15)17(23)20-21/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVHVKSQFOQDTMNB-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.95
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 2083338) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID2083338
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-11-7-12(2)9-13(8-11)19-16(22)10-21-18(24)15-6-4-3-5-14(15)17(23)20-21/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVHVKSQFOQDTMNB-UHFFFAOYSA-N
XLogP1.95
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 40723305
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzamide
CID 18162052
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 17477729
N-[3-(diethylaminomethyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38809412
N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2524022
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 4845929
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55886811

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 2083338) is N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is VHVKSQFOQDTMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-7-12(2)9-13(8-11)19-16(22)10-21-18(24)15-6-4-3-5-14(15)17(23)20-21/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 2083338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).