9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide

C27H19N3O2 — CID 68779459

IUPAC9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2c3ccccc3n(N3Cc4ccccc4C3=O)c12
InChIInChI=1S/C27H19N3O2/c31-26(28-19-10-2-1-3-11-19)23-15-8-14-22-21-13-6-7-16-24(21)30(25(22)23)29-17-18-9-4-5-12-20(18)27(29)32/h1-16H,17H2,(H,28,31)
InChIKeyBEWLTFONVAMLDG-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.34
Rot. Bonds3

About 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide

9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide (PubChem CID 68779459) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide.

Molecular Properties

Compound Name9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide
PubChem CID68779459
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2c3ccccc3n(N3Cc4ccccc4C3=O)c12
InChIInChI=1S/C27H19N3O2/c31-26(28-19-10-2-1-3-11-19)23-15-8-14-22-21-13-6-7-16-24(21)30(25(22)23)29-17-18-9-4-5-12-20(18)27(29)32/h1-16H,17H2,(H,28,31)
InChIKeyBEWLTFONVAMLDG-UHFFFAOYSA-N
XLogP5.34
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide?
The IUPAC name of 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide (CID 68779459) is 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide.
What is the SMILES notation for 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide?
The canonical SMILES for 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide is O=C(Nc1ccccc1)c1cccc2c3ccccc3n(N3Cc4ccccc4C3=O)c12.
What is the InChIKey of 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide?
The InChIKey is BEWLTFONVAMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c31-26(28-19-10-2-1-3-11-19)23-15-8-14-22-21-13-6-7-16-24(21)30(25(22)23)29-17-18-9-4-5-12-20(18)27(29)32/h1-16H,17H2,(H,28,31).
What are the key properties of 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide?
9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-oxo-1H-isoindol-2-yl)-N-phenylcarbazole-1-carboxamide is sourced from PubChem (CID 68779459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).