N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide

C23H19FN2O4 — CID 122639167

IUPACN-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
SMILESCOc1cccc(-c2ccc(NC(=O)c3ccc(F)cc3)c3c2CNC3=O)c1OC
InChIInChI=1S/C23H19FN2O4/c1-29-19-5-3-4-16(21(19)30-2)15-10-11-18(20-17(15)12-25-23(20)28)26-22(27)13-6-8-14(24)9-7-13/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJCPUORSBHGZRID-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.01
Rot. Bonds5

About N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide

N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide (PubChem CID 122639167) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
PubChem CID122639167
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC NameN-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
SMILESCOc1cccc(-c2ccc(NC(=O)c3ccc(F)cc3)c3c2CNC3=O)c1OC
InChIInChI=1S/C23H19FN2O4/c1-29-19-5-3-4-16(21(19)30-2)15-10-11-18(20-17(15)12-25-23(20)28)26-22(27)13-6-8-14(24)9-7-13/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJCPUORSBHGZRID-UHFFFAOYSA-N
XLogP4.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide
CID 122639395
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-[3-(4-methylpiperazin-1-yl)propylamino]benzamide
CID 122639476
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 122639089
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-methoxyethylamino)benzamide
CID 122639060
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 147109047

Frequently Asked Questions

What is the IUPAC name of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide (CID 122639167) is N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide is COc1cccc(-c2ccc(NC(=O)c3ccc(F)cc3)c3c2CNC3=O)c1OC.
What is the InChIKey of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide?
The InChIKey is JCPUORSBHGZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-29-19-5-3-4-16(21(19)30-2)15-10-11-18(20-17(15)12-25-23(20)28)26-22(27)13-6-8-14(24)9-7-13/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide?
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide has a molecular weight of 406.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 122639167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).