N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide

C25H17N3O3 — CID 56507056

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H17N3O3/c29-23(17-10-12-19(13-11-17)27-14-3-4-15-27)26-18-6-5-7-20(16-18)28-24(30)21-8-1-2-9-22(21)25(28)31/h1-16H,(H,26,29)
InChIKeyIZUZAEHXKOCJJU-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.53
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 56507056) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID56507056
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H17N3O3/c29-23(17-10-12-19(13-11-17)27-14-3-4-15-27)26-18-6-5-7-20(16-18)28-24(30)21-8-1-2-9-22(21)25(28)31/h1-16H,(H,26,29)
InChIKeyIZUZAEHXKOCJJU-UHFFFAOYSA-N
XLogP4.53
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 56507674
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
4-cyclopentyloxy-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 56508453
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56507697
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
6-oxo-N-(3-pyrrol-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 61242832
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3492403

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide (CID 56507056) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide is O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is IZUZAEHXKOCJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c29-23(17-10-12-19(13-11-17)27-14-3-4-15-27)26-18-6-5-7-20(16-18)28-24(30)21-8-1-2-9-22(21)25(28)31/h1-16H,(H,26,29).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 407.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 56507056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).