N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

C30H18N6O6 — CID 164728727

IUPACN-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)cc1)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C30H18N6O6/c37-25(15-1-11-21-23(13-15)29(41)33-27(21)39)31-17-3-7-19(8-4-17)35-36-20-9-5-18(6-10-20)32-26(38)16-2-12-22-24(14-16)30(42)34-28(22)40/h1-14H,(H,31,37)(H,32,38)(H,33,39,41)(H,34,40,42)/b36-35+
InChIKeyWJOVJUSUHOXSAB-ULDVOPSXSA-N
MW558.51 g/mol
LogP4.37
Rot. Bonds6

About N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 164728727) has the molecular formula C30H18N6O6 and a molecular weight of 558.51 g/mol. Its IUPAC name is N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID164728727
Molecular FormulaC30H18N6O6
Molecular Weight558.51 g/mol
Exact Mass558.13
IUPAC NameN-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)cc1)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C30H18N6O6/c37-25(15-1-11-21-23(13-15)29(41)33-27(21)39)31-17-3-7-19(8-4-17)35-36-20-9-5-18(6-10-20)32-26(38)16-2-12-22-24(14-16)30(42)34-28(22)40/h1-14H,(H,31,37)(H,32,38)(H,33,39,41)(H,34,40,42)/b36-35+
InChIKeyWJOVJUSUHOXSAB-ULDVOPSXSA-N
XLogP4.37
TPSA175.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.51
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[4-[[5-[(1,3-dioxoisoindole-5-carbonyl)amino]furan-2-yl]methylideneamino]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 167011128
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211221
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
CID 169211220
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
4-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662519
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 164728727) is N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccc(/N=N/c2ccc(NC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)cc1)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is WJOVJUSUHOXSAB-ULDVOPSXSA-N. The full InChI is InChI=1S/C30H18N6O6/c37-25(15-1-11-21-23(13-15)29(41)33-27(21)39)31-17-3-7-19(8-4-17)35-36-20-9-5-18(6-10-20)32-26(38)16-2-12-22-24(14-16)30(42)34-28(22)40/h1-14H,(H,31,37)(H,32,38)(H,33,39,41)(H,34,40,42)/b36-35+.
What are the key properties of N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 558.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 164728727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).