1-(N-carbamoylanilino)indole-2-carboxylic acid

C16H13N3O3 — CID 67622156

IUPAC1-(N-carbamoylanilino)indole-2-carboxylic acid
SMILESNC(=O)N(c1ccccc1)n1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C16H13N3O3/c17-16(22)18(12-7-2-1-3-8-12)19-13-9-5-4-6-11(13)10-14(19)15(20)21/h1-10H,(H2,17,22)(H,20,21)
InChIKeyZUMYLCVMLSTFHH-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.69
Rot. Bonds3

About 1-(N-carbamoylanilino)indole-2-carboxylic acid

1-(N-carbamoylanilino)indole-2-carboxylic acid (PubChem CID 67622156) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(N-carbamoylanilino)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(N-carbamoylanilino)indole-2-carboxylic acid
PubChem CID67622156
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(N-carbamoylanilino)indole-2-carboxylic acid
SMILESNC(=O)N(c1ccccc1)n1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C16H13N3O3/c17-16(22)18(12-7-2-1-3-8-12)19-13-9-5-4-6-11(13)10-14(19)15(20)21/h1-10H,(H2,17,22)(H,20,21)
InChIKeyZUMYLCVMLSTFHH-UHFFFAOYSA-N
XLogP2.69
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N-carbamoylanilino)indole-2-carboxylic acid?
The IUPAC name of 1-(N-carbamoylanilino)indole-2-carboxylic acid (CID 67622156) is 1-(N-carbamoylanilino)indole-2-carboxylic acid.
What is the SMILES notation for 1-(N-carbamoylanilino)indole-2-carboxylic acid?
The canonical SMILES for 1-(N-carbamoylanilino)indole-2-carboxylic acid is NC(=O)N(c1ccccc1)n1c(C(=O)O)cc2ccccc21.
What is the InChIKey of 1-(N-carbamoylanilino)indole-2-carboxylic acid?
The InChIKey is ZUMYLCVMLSTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-16(22)18(12-7-2-1-3-8-12)19-13-9-5-4-6-11(13)10-14(19)15(20)21/h1-10H,(H2,17,22)(H,20,21).
What are the key properties of 1-(N-carbamoylanilino)indole-2-carboxylic acid?
1-(N-carbamoylanilino)indole-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-carbamoylanilino)indole-2-carboxylic acid is sourced from PubChem (CID 67622156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).