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

C27H19FN2O2 — CID 68808001

IUPAC3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(-c3ccccc3)c3c2CNC3=O)c1)c1cccc(F)c1
InChIInChI=1S/C27H19FN2O2/c28-20-10-4-9-19(14-20)26(31)30-21-11-5-8-18(15-21)22-12-13-23(17-6-2-1-3-7-17)25-24(22)16-29-27(25)32/h1-15H,16H2,(H,29,32)(H,30,31)
InChIKeyYMBWJZZIBNIGGV-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.66
Rot. Bonds4

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

3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide (PubChem CID 68808001) has the molecular formula C27H19FN2O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide
PubChem CID68808001
Molecular FormulaC27H19FN2O2
Molecular Weight422.46 g/mol
Exact Mass422.14
IUPAC Name3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(-c3ccccc3)c3c2CNC3=O)c1)c1cccc(F)c1
InChIInChI=1S/C27H19FN2O2/c28-20-10-4-9-19(14-20)26(31)30-21-11-5-8-18(15-21)22-12-13-23(17-6-2-1-3-7-17)25-24(22)16-29-27(25)32/h1-15H,16H2,(H,29,32)(H,30,31)
InChIKeyYMBWJZZIBNIGGV-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
phenyl N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamate
CID 140749368
7-[2-fluoro-4-[(2-fluorobenzoyl)amino]phenyl]-3-oxo-1,2-dihydroisoindole-4-carboxylic acid
CID 66981507
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide (CID 68808001) is 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(-c3ccccc3)c3c2CNC3=O)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide?
The InChIKey is YMBWJZZIBNIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O2/c28-20-10-4-9-19(14-20)26(31)30-21-11-5-8-18(15-21)22-12-13-23(17-6-2-1-3-7-17)25-24(22)16-29-27(25)32/h1-15H,16H2,(H,29,32)(H,30,31).
What are the key properties of 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide?
3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide has a molecular weight of 422.46 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(1-oxo-7-phenyl-2,3-dihydroisoindol-4-yl)phenyl]benzamide is sourced from PubChem (CID 68808001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).