1-(4-carbamoylphenyl)indole-5-carboxylic acid

C16H12N2O3 — CID 59626065

IUPAC1-(4-carbamoylphenyl)indole-5-carboxylic acid
SMILESNC(=O)c1ccc(-n2ccc3cc(C(=O)O)ccc32)cc1
InChIInChI=1S/C16H12N2O3/c17-15(19)10-1-4-13(5-2-10)18-8-7-11-9-12(16(20)21)3-6-14(11)18/h1-9H,(H2,17,19)(H,20,21)
InChIKeyVQOGZUPDSJCKSP-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.43
Rot. Bonds3

About 1-(4-carbamoylphenyl)indole-5-carboxylic acid

1-(4-carbamoylphenyl)indole-5-carboxylic acid (PubChem CID 59626065) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)indole-5-carboxylic acid
PubChem CID59626065
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name1-(4-carbamoylphenyl)indole-5-carboxylic acid
SMILESNC(=O)c1ccc(-n2ccc3cc(C(=O)O)ccc32)cc1
InChIInChI=1S/C16H12N2O3/c17-15(19)10-1-4-13(5-2-10)18-8-7-11-9-12(16(20)21)3-6-14(11)18/h1-9H,(H2,17,19)(H,20,21)
InChIKeyVQOGZUPDSJCKSP-UHFFFAOYSA-N
XLogP2.43
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)indole-5-carboxylic acid?
The IUPAC name of 1-(4-carbamoylphenyl)indole-5-carboxylic acid (CID 59626065) is 1-(4-carbamoylphenyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylphenyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylphenyl)indole-5-carboxylic acid is NC(=O)c1ccc(-n2ccc3cc(C(=O)O)ccc32)cc1.
What is the InChIKey of 1-(4-carbamoylphenyl)indole-5-carboxylic acid?
The InChIKey is VQOGZUPDSJCKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-15(19)10-1-4-13(5-2-10)18-8-7-11-9-12(16(20)21)3-6-14(11)18/h1-9H,(H2,17,19)(H,20,21).
What are the key properties of 1-(4-carbamoylphenyl)indole-5-carboxylic acid?
1-(4-carbamoylphenyl)indole-5-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)indole-5-carboxylic acid is sourced from PubChem (CID 59626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).