N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H16FN3O2 — CID 2975205

IUPACN-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C18H16FN3O2/c1-11-7-8-12(9-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyDOTMILNGTPIIMY-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.56
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 2975205) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID2975205
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F
InChIInChI=1S/C18H16FN3O2/c1-11-7-8-12(9-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyDOTMILNGTPIIMY-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 2975205) is N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is DOTMILNGTPIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-7-8-12(9-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 2975205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).