3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide

C18H16FN3O3 — CID 40723465

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c(F)c1
InChIInChI=1S/C18H16FN3O3/c1-11-6-7-15(14(19)10-11)20-16(23)8-9-22-18(25)13-5-3-2-4-12(13)17(24)21-22/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyRUNALDJRGNJQHH-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.17
Rot. Bonds4

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 40723465) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID40723465
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c(F)c1
InChIInChI=1S/C18H16FN3O3/c1-11-6-7-15(14(19)10-11)20-16(23)8-9-22-18(25)13-5-3-2-4-12(13)17(24)21-22/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyRUNALDJRGNJQHH-UHFFFAOYSA-N
XLogP2.17
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 40723305
N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 24530023
N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 27844618
N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 112773070
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671962
N-(2,3-dichlorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51195189
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 55380801
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 37246021
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
N-cyclohexyl-4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-3-methylbenzamide
CID 55879295
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 36544756

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide (CID 40723465) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c(F)c1.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is RUNALDJRGNJQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-6-7-15(14(19)10-11)20-16(23)8-9-22-18(25)13-5-3-2-4-12(13)17(24)21-22/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 341.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 40723465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).