4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid

C23H15Cl2NO3 — CID 155534295

IUPAC4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C23H15Cl2NO3/c1-13-11-14(23(28)29)9-10-19(13)26-12-16(15-5-2-3-8-20(15)26)22(27)21-17(24)6-4-7-18(21)25/h2-12H,1H3,(H,28,29)
InChIKeyZVLZGRRLGCJBIR-UHFFFAOYSA-N
MW424.28 g/mol
LogP6.17
Rot. Bonds4

About 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid

4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid (PubChem CID 155534295) has the molecular formula C23H15Cl2NO3 and a molecular weight of 424.28 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid
PubChem CID155534295
Molecular FormulaC23H15Cl2NO3
Molecular Weight424.28 g/mol
Exact Mass423.04
IUPAC Name4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C23H15Cl2NO3/c1-13-11-14(23(28)29)9-10-19(13)26-12-16(15-5-2-3-8-20(15)26)22(27)21-17(24)6-4-7-18(21)25/h2-12H,1H3,(H,28,29)
InChIKeyZVLZGRRLGCJBIR-UHFFFAOYSA-N
XLogP6.17
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.28
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid?
The IUPAC name of 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid (CID 155534295) is 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid?
The canonical SMILES for 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid?
The InChIKey is ZVLZGRRLGCJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO3/c1-13-11-14(23(28)29)9-10-19(13)26-12-16(15-5-2-3-8-20(15)26)22(27)21-17(24)6-4-7-18(21)25/h2-12H,1H3,(H,28,29).
What are the key properties of 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid?
4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid has a molecular weight of 424.28 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-methylbenzoic acid is sourced from PubChem (CID 155534295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).