2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide

C21H14Cl2N2O2 — CID 142925205

IUPAC2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl2N2O2/c22-14-6-8-18(19(23)11-14)20(26)24-15-7-9-17-13(10-15)12-25(21(17)27)16-4-2-1-3-5-16/h1-11H,12H2,(H,24,26)
InChIKeyUCLIQZQQPKTQDL-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.41
Rot. Bonds3

About 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide

2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide (PubChem CID 142925205) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
PubChem CID142925205
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl2N2O2/c22-14-6-8-18(19(23)11-14)20(26)24-15-7-9-17-13(10-15)12-25(21(17)27)16-4-2-1-3-5-16/h1-11H,12H2,(H,24,26)
InChIKeyUCLIQZQQPKTQDL-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

2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indol-8-yl]benzamide
CID 3885852
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320601
5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one
CID 11984574
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide
CID 2953562
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
CID 3338645

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide (CID 142925205) is 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide is O=C(Nc1ccc2c(c1)CN(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide?
The InChIKey is UCLIQZQQPKTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-14-6-8-18(19(23)11-14)20(26)24-15-7-9-17-13(10-15)12-25(21(17)27)16-4-2-1-3-5-16/h1-11H,12H2,(H,24,26).
What are the key properties of 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide?
2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)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 2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide is sourced from PubChem (CID 142925205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).