4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid

C22H14ClNO3 — CID 118142031

IUPAC4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3ccccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H14ClNO3/c23-19-7-3-1-6-17(19)21(25)18-13-24(20-8-4-2-5-16(18)20)15-11-9-14(10-12-15)22(26)27/h1-13H,(H,26,27)
InChIKeyVOCBOGBIOSBEDA-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.21
Rot. Bonds4

About 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid

4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid (PubChem CID 118142031) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid
PubChem CID118142031
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3ccccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H14ClNO3/c23-19-7-3-1-6-17(19)21(25)18-13-24(20-8-4-2-5-16(18)20)15-11-9-14(10-12-15)22(26)27/h1-13H,(H,26,27)
InChIKeyVOCBOGBIOSBEDA-UHFFFAOYSA-N
XLogP5.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid?
The IUPAC name of 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid (CID 118142031) is 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid is O=C(O)c1ccc(-n2cc(C(=O)c3ccccc3Cl)c3ccccc32)cc1.
What is the InChIKey of 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid?
The InChIKey is VOCBOGBIOSBEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-19-7-3-1-6-17(19)21(25)18-13-24(20-8-4-2-5-16(18)20)15-11-9-14(10-12-15)22(26)27/h1-13H,(H,26,27).
What are the key properties of 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid?
4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid has a molecular weight of 375.81 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorobenzoyl)indol-1-yl]benzoic acid is sourced from PubChem (CID 118142031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).