2-[(3-methylindol-1-yl)carbamoyl]benzoic acid

C17H14N2O3 — CID 19036965

IUPAC2-[(3-methylindol-1-yl)carbamoyl]benzoic acid
SMILESCc1cn(NC(=O)c2ccccc2C(=O)O)c2ccccc12
InChIInChI=1S/C17H14N2O3/c1-11-10-19(15-9-5-4-6-12(11)15)18-16(20)13-7-2-3-8-14(13)17(21)22/h2-10H,1H3,(H,18,20)(H,21,22)
InChIKeyPDTBXJMJJFRQIZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.03
Rot. Bonds3

About 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid

2-[(3-methylindol-1-yl)carbamoyl]benzoic acid (PubChem CID 19036965) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-methylindol-1-yl)carbamoyl]benzoic acid
PubChem CID19036965
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[(3-methylindol-1-yl)carbamoyl]benzoic acid
SMILESCc1cn(NC(=O)c2ccccc2C(=O)O)c2ccccc12
InChIInChI=1S/C17H14N2O3/c1-11-10-19(15-9-5-4-6-12(11)15)18-16(20)13-7-2-3-8-14(13)17(21)22/h2-10H,1H3,(H,18,20)(H,21,22)
InChIKeyPDTBXJMJJFRQIZ-UHFFFAOYSA-N
XLogP3.03
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid (CID 19036965) is 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid is Cc1cn(NC(=O)c2ccccc2C(=O)O)c2ccccc12.
What is the InChIKey of 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid?
The InChIKey is PDTBXJMJJFRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-10-19(15-9-5-4-6-12(11)15)18-16(20)13-7-2-3-8-14(13)17(21)22/h2-10H,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid?
2-[(3-methylindol-1-yl)carbamoyl]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylindol-1-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 19036965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).