N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

C28H17I2N3O4 — CID 3492403

IUPACN-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(I)c4)cc3C2=O)c1
InChIInChI=1S/C28H17I2N3O4/c29-18-5-2-7-20(14-18)31-25(34)16-4-1-9-22(12-16)33-27(36)23-11-10-17(13-24(23)28(33)37)26(35)32-21-8-3-6-19(30)15-21/h1-15H,(H,31,34)(H,32,35)
InChIKeyNODVIVZVCVVEBF-UHFFFAOYSA-N
MW713.27 g/mol
LogP6.20
Rot. Bonds5

About N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 3492403) has the molecular formula C28H17I2N3O4 and a molecular weight of 713.27 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID3492403
Molecular FormulaC28H17I2N3O4
Molecular Weight713.27 g/mol
Exact Mass712.93
IUPAC NameN-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(I)c4)cc3C2=O)c1
InChIInChI=1S/C28H17I2N3O4/c29-18-5-2-7-20(14-18)31-25(34)16-4-1-9-22(12-16)33-27(36)23-11-10-17(13-24(23)28(33)37)26(35)32-21-8-3-6-19(30)15-21/h1-15H,(H,31,34)(H,32,35)
InChIKeyNODVIVZVCVVEBF-UHFFFAOYSA-N
XLogP6.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.27
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17358826
1,3-dioxo-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-2-[3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
CID 6072018
1,3-dioxo-N-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-[3-[[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
CID 5286630
3-[[2-(4-methoxycarbonylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5009646
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
methyl 3-[5-[(4-aminobenzoyl)amino]-1,3-dioxoisoindol-2-yl]benzoate
CID 23850036
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
CID 126585620
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(3,4-dimethylphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide
CID 1103603

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 3492403) is N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1cccc(I)c1)c1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(I)c4)cc3C2=O)c1.
What is the InChIKey of N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NODVIVZVCVVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17I2N3O4/c29-18-5-2-7-20(14-18)31-25(34)16-4-1-9-22(12-16)33-27(36)23-11-10-17(13-24(23)28(33)37)26(35)32-21-8-3-6-19(30)15-21/h1-15H,(H,31,34)(H,32,35).
What are the key properties of N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 713.27 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 3492403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).