N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide

C21H14F2N2O2 — CID 122639240

IUPACN-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(F)c(F)c2)c2c1C(=O)NC2)c1ccccc1
InChIInChI=1S/C21H14F2N2O2/c22-16-8-6-13(10-17(16)23)14-7-9-18(19-15(14)11-24-21(19)27)25-20(26)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,27)(H,25,26)
InChIKeyWZQCIWSIQFQENB-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.13
Rot. Bonds3

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

N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide (PubChem CID 122639240) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
PubChem CID122639240
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC NameN-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(F)c(F)c2)c2c1C(=O)NC2)c1ccccc1
InChIInChI=1S/C21H14F2N2O2/c22-16-8-6-13(10-17(16)23)14-7-9-18(19-15(14)11-24-21(19)27)25-20(26)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,27)(H,25,26)
InChIKeyWZQCIWSIQFQENB-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide
CID 68808001
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387
N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639190

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The IUPAC name of N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide (CID 122639240) is N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide.
What is the SMILES notation for N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The canonical SMILES for N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide is O=C(Nc1ccc(-c2ccc(F)c(F)c2)c2c1C(=O)NC2)c1ccccc1.
What is the InChIKey of N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
The InChIKey is WZQCIWSIQFQENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c22-16-8-6-13(10-17(16)23)14-7-9-18(19-15(14)11-24-21(19)27)25-20(26)12-4-2-1-3-5-12/h1-10H,11H2,(H,24,27)(H,25,26).
What are the key properties of N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide?
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide has a molecular weight of 364.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide is sourced from PubChem (CID 122639240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).