2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide

C20H18F2N4O3 — CID 55501858

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide
SMILESCNC(=O)C(NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N4O3/c1-23-19(28)18(11-7-8-14(21)15(22)9-11)24-17(27)10-16-12-5-3-4-6-13(12)20(29)26(2)25-16/h3-9,18H,10H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYZYSOBWOIOYPGZ-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.36
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide

2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide (PubChem CID 55501858) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide
PubChem CID55501858
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide
SMILESCNC(=O)C(NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N4O3/c1-23-19(28)18(11-7-8-14(21)15(22)9-11)24-17(27)10-16-12-5-3-4-6-13(12)20(29)26(2)25-16/h3-9,18H,10H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYZYSOBWOIOYPGZ-UHFFFAOYSA-N
XLogP1.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 55576340
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134051720
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]acetamide
CID 134051729
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 55502477
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55751214
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 166209428
(2S)-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]hexanoic acid
CID 120615453
2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
CID 86916060
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55949418

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide (CID 55501858) is 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide is CNC(=O)C(NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide?
The InChIKey is YZYSOBWOIOYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-23-19(28)18(11-7-8-14(21)15(22)9-11)24-17(27)10-16-12-5-3-4-6-13(12)20(29)26(2)25-16/h3-9,18H,10H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide has a molecular weight of 400.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 55501858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).