7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid

C22H14F2N2O4 — CID 66981507

IUPAC7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)O)c3c2CNC3=O)c(F)c1)c1ccccc1F
InChIInChI=1S/C22H14F2N2O4/c23-17-4-2-1-3-14(17)20(27)26-11-5-6-13(18(24)9-11)12-7-8-15(22(29)30)19-16(12)10-25-21(19)28/h1-9H,10H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyYCQIMCKMIUVBFX-UHFFFAOYSA-N
MW408.36 g/mol
LogP3.83
Rot. Bonds4

About 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid

7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid (PubChem CID 66981507) has the molecular formula C22H14F2N2O4 and a molecular weight of 408.36 g/mol. Its IUPAC name is 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid.

Molecular Properties

Compound Name7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid
PubChem CID66981507
Molecular FormulaC22H14F2N2O4
Molecular Weight408.36 g/mol
Exact Mass408.09
IUPAC Name7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)O)c3c2CNC3=O)c(F)c1)c1ccccc1F
InChIInChI=1S/C22H14F2N2O4/c23-17-4-2-1-3-14(17)20(27)26-11-5-6-13(18(24)9-11)12-7-8-15(22(29)30)19-16(12)10-25-21(19)28/h1-9H,10H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyYCQIMCKMIUVBFX-UHFFFAOYSA-N
XLogP3.83
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-[(4-chlorophthalazin-1-yl)amino]-2-fluorophenyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide
CID 87223852
2-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662492
2-fluoro-N-(1,3,4-trioxoisoquinolin-7-yl)benzamide
CID 58662508
N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
CID 10783699
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid
CID 17296747
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
3-fluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 66981500
1-(6-ethyl-2-pyridinyl)-3-[3-fluoro-4-[7-(1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]urea
CID 66981509
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
3-fluoro-N-[3-fluoro-4-[7-(5-methyl-1H-1,2,4-triazol-3-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-5-morpholin-4-ylbenzamide
CID 66981600
5-[(2-fluorobenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363069

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid?
The IUPAC name of 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid (CID 66981507) is 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid.
What is the SMILES notation for 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid?
The canonical SMILES for 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid is O=C(Nc1ccc(-c2ccc(C(=O)O)c3c2CNC3=O)c(F)c1)c1ccccc1F.
What is the InChIKey of 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid?
The InChIKey is YCQIMCKMIUVBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O4/c23-17-4-2-1-3-14(17)20(27)26-11-5-6-13(18(24)9-11)12-7-8-15(22(29)30)19-16(12)10-25-21(19)28/h1-9H,10H2,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid?
7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid has a molecular weight of 408.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid is sourced from PubChem (CID 66981507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).