7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid

C17H12ClNO4 — CID 12908178

IUPAC7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C17H12ClNO4/c1-23-14-7-6-11(15-12(14)8-13(19-15)17(21)22)16(20)9-2-4-10(18)5-3-9/h2-8,19H,1H3,(H,21,22)
InChIKeyRHAUMDOYIKMMJT-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.76
Rot. Bonds4

About 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid

7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid (PubChem CID 12908178) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
PubChem CID12908178
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C17H12ClNO4/c1-23-14-7-6-11(15-12(14)8-13(19-15)17(21)22)16(20)9-2-4-10(18)5-3-9/h2-8,19H,1H3,(H,21,22)
InChIKeyRHAUMDOYIKMMJT-UHFFFAOYSA-N
XLogP3.76
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid (CID 12908178) is 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid is COc1ccc(C(=O)c2ccc(Cl)cc2)c2[nH]c(C(=O)O)cc12.
What is the InChIKey of 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid?
The InChIKey is RHAUMDOYIKMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c1-23-14-7-6-11(15-12(14)8-13(19-15)17(21)22)16(20)9-2-4-10(18)5-3-9/h2-8,19H,1H3,(H,21,22).
What are the key properties of 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid?
7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 12908178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).