N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide

C18H14F2N2O3 — CID 167933912

IUPACN-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide
SMILESCC1C(=O)N(CC(=O)Nc2cc(F)ccc2F)C(=O)c2ccccc21
InChIInChI=1S/C18H14F2N2O3/c1-10-12-4-2-3-5-13(12)18(25)22(17(10)24)9-16(23)21-15-8-11(19)6-7-14(15)20/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyAWYXFGRNYMQAEG-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.69
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide

N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide (PubChem CID 167933912) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide
PubChem CID167933912
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide
SMILESCC1C(=O)N(CC(=O)Nc2cc(F)ccc2F)C(=O)c2ccccc21
InChIInChI=1S/C18H14F2N2O3/c1-10-12-4-2-3-5-13(12)18(25)22(17(10)24)9-16(23)21-15-8-11(19)6-7-14(15)20/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyAWYXFGRNYMQAEG-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
N-(2,5-difluorophenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide
CID 22553310
N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596801
N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
CID 57163180
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
N-(2,5-difluorophenyl)-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide
CID 53005407

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide (CID 167933912) is N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide is CC1C(=O)N(CC(=O)Nc2cc(F)ccc2F)C(=O)c2ccccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide?
The InChIKey is AWYXFGRNYMQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-10-12-4-2-3-5-13(12)18(25)22(17(10)24)9-16(23)21-15-8-11(19)6-7-14(15)20/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide?
N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide has a molecular weight of 344.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 167933912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).