N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide

C21H15BrN2O2 — CID 91678034

IUPACN-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Br)c1ccccc1
InChIInChI=1S/C21H15BrN2O2/c22-18-12-16(24-13-15-8-4-5-9-17(15)21(24)26)10-11-19(18)23-20(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)
InChIKeyVEJVJDPKVQTSTK-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.86
Rot. Bonds3

About N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide

N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide (PubChem CID 91678034) has the molecular formula C21H15BrN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
PubChem CID91678034
Molecular FormulaC21H15BrN2O2
Molecular Weight407.27 g/mol
Exact Mass406.03
IUPAC NameN-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Br)c1ccccc1
InChIInChI=1S/C21H15BrN2O2/c22-18-12-16(24-13-15-8-4-5-9-17(15)21(24)26)10-11-19(18)23-20(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)
InChIKeyVEJVJDPKVQTSTK-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[2-methoxy-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678072
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216
N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide
CID 59543297
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
N-[2-bromo-4-(carbamothioylamino)phenyl]benzamide
CID 169358569
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
CID 56624959
N-[2-bromo-4-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168543965
N-(5-amino-2-bromophenyl)benzamide
CID 833748
N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide
CID 89335733
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
(E)-N-hydroxy-3-[2-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enamide
CID 122514492

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
The IUPAC name of N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide (CID 91678034) is N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide is O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Br)c1ccccc1.
What is the InChIKey of N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
The InChIKey is VEJVJDPKVQTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O2/c22-18-12-16(24-13-15-8-4-5-9-17(15)21(24)26)10-11-19(18)23-20(25)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25).
What are the key properties of N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide has a molecular weight of 407.27 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide is sourced from PubChem (CID 91678034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).