3-(2-carbamoylphenyl)indole-1,2-dicarboxamide

C17H14N4O3 — CID 123735466

IUPAC3-(2-carbamoylphenyl)indole-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1-c1c(C(N)=O)n(C(N)=O)c2ccccc12
InChIInChI=1S/C17H14N4O3/c18-15(22)10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)21(17(20)24)14(13)16(19)23/h1-8H,(H2,18,22)(H2,19,23)(H2,20,24)
InChIKeyWCIUJGSUWRXDLE-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.43
Rot. Bonds3

About 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide

3-(2-carbamoylphenyl)indole-1,2-dicarboxamide (PubChem CID 123735466) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide.

Molecular Properties

Compound Name3-(2-carbamoylphenyl)indole-1,2-dicarboxamide
PubChem CID123735466
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name3-(2-carbamoylphenyl)indole-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1-c1c(C(N)=O)n(C(N)=O)c2ccccc12
InChIInChI=1S/C17H14N4O3/c18-15(22)10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)21(17(20)24)14(13)16(19)23/h1-8H,(H2,18,22)(H2,19,23)(H2,20,24)
InChIKeyWCIUJGSUWRXDLE-UHFFFAOYSA-N
XLogP1.43
TPSA134.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide?
The IUPAC name of 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide (CID 123735466) is 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide.
What is the SMILES notation for 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide?
The canonical SMILES for 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide is NC(=O)c1ccccc1-c1c(C(N)=O)n(C(N)=O)c2ccccc12.
What is the InChIKey of 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide?
The InChIKey is WCIUJGSUWRXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c18-15(22)10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)21(17(20)24)14(13)16(19)23/h1-8H,(H2,18,22)(H2,19,23)(H2,20,24).
What are the key properties of 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide?
3-(2-carbamoylphenyl)indole-1,2-dicarboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoylphenyl)indole-1,2-dicarboxamide is sourced from PubChem (CID 123735466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).