N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C20H20FN3O2 — CID 166209428

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCC(Cc1cccc(F)c1)NC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H20FN3O2/c1-13(10-14-6-5-7-15(21)11-14)22-19(25)12-18-16-8-3-4-9-17(16)20(26)24(2)23-18/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)
InChIKeyAJUGWGQWMQIWDB-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 166209428) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID166209428
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCC(Cc1cccc(F)c1)NC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H20FN3O2/c1-13(10-14-6-5-7-15(21)11-14)22-19(25)12-18-16-8-3-4-9-17(16)20(26)24(2)23-18/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)
InChIKeyAJUGWGQWMQIWDB-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55982859
4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120546558
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
(2S)-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]hexanoic acid
CID 120615453
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide
CID 55501858
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35234780

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 166209428) is N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CC(Cc1cccc(F)c1)NC(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is AJUGWGQWMQIWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(10-14-6-5-7-15(21)11-14)22-19(25)12-18-16-8-3-4-9-17(16)20(26)24(2)23-18/h3-9,11,13H,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 166209428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).