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

C21H14Cl2N2O2 — CID 54858216

IUPAC3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-18-10-5-13(11-19(18)23)20(26)24-15-6-8-16(9-7-15)25-12-14-3-1-2-4-17(14)21(25)27/h1-11H,12H2,(H,24,26)
InChIKeyQKTIFBUFDXYSDI-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.41
Rot. Bonds3

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

3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide (PubChem CID 54858216) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
PubChem CID54858216
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-18-10-5-13(11-19(18)23)20(26)24-15-6-8-16(9-7-15)25-12-14-3-1-2-4-17(14)21(25)27/h1-11H,12H2,(H,24,26)
InChIKeyQKTIFBUFDXYSDI-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
CID 54858187
4-(4-methylpiperidin-1-yl)-3-nitro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858336
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 54859968
4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
CID 54860005
N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678034
3,4-dichloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzamide
CID 112981690
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
CID 1337040
2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
CID 142925205
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide (CID 54858216) is 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide is O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
The InChIKey is QKTIFBUFDXYSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-18-10-5-13(11-19(18)23)20(26)24-15-6-8-16(9-7-15)25-12-14-3-1-2-4-17(14)21(25)27/h1-11H,12H2,(H,24,26).
What are the key properties of 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide?
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide has a molecular weight of 397.26 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide is sourced from PubChem (CID 54858216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).