4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid

C23H15ClFNO3 — CID 155555405

IUPAC4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid
SMILESCc1cccc2c(C(=O)c3ccccc3Cl)cn(-c3ccc(C(=O)O)cc3F)c12
InChIInChI=1S/C23H15ClFNO3/c1-13-5-4-7-15-17(22(27)16-6-2-3-8-18(16)24)12-26(21(13)15)20-10-9-14(23(28)29)11-19(20)25/h2-12H,1H3,(H,28,29)
InChIKeyRBPHCNCKGJRVLB-UHFFFAOYSA-N
MW407.83 g/mol
LogP5.66
Rot. Bonds4

About 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid

4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid (PubChem CID 155555405) has the molecular formula C23H15ClFNO3 and a molecular weight of 407.83 g/mol. Its IUPAC name is 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid
PubChem CID155555405
Molecular FormulaC23H15ClFNO3
Molecular Weight407.83 g/mol
Exact Mass407.07
IUPAC Name4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid
SMILESCc1cccc2c(C(=O)c3ccccc3Cl)cn(-c3ccc(C(=O)O)cc3F)c12
InChIInChI=1S/C23H15ClFNO3/c1-13-5-4-7-15-17(22(27)16-6-2-3-8-18(16)24)12-26(21(13)15)20-10-9-14(23(28)29)11-19(20)25/h2-12H,1H3,(H,28,29)
InChIKeyRBPHCNCKGJRVLB-UHFFFAOYSA-N
XLogP5.66
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.83
LogP ≤ 55.66
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)-7-methylindol-1-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid (CID 155555405) is 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid is Cc1cccc2c(C(=O)c3ccccc3Cl)cn(-c3ccc(C(=O)O)cc3F)c12.
What is the InChIKey of 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid?
The InChIKey is RBPHCNCKGJRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO3/c1-13-5-4-7-15-17(22(27)16-6-2-3-8-18(16)24)12-26(21(13)15)20-10-9-14(23(28)29)11-19(20)25/h2-12H,1H3,(H,28,29).
What are the key properties of 4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid?
4-[3-(2-chlorobenzoyl)-7-methylindol-1-yl]-3-fluorobenzoic acid has a molecular weight of 407.83 g/mol, XLogP of 5.66, 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)-7-methylindol-1-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 155555405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).