4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid

C23H11ClF5NO3 — CID 155564665

IUPAC4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c(F)cccc32)c(F)c1
InChIInChI=1S/C23H11ClF5NO3/c24-14-4-1-3-13(23(27,28)29)20(14)21(31)12-10-30(18-6-2-5-15(25)19(12)18)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33)
InChIKeyRXFPAAYTOMUIII-UHFFFAOYSA-N
MW479.79 g/mol
LogP6.51
Rot. Bonds4

About 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid

4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid (PubChem CID 155564665) has the molecular formula C23H11ClF5NO3 and a molecular weight of 479.79 g/mol. Its IUPAC name is 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid
PubChem CID155564665
Molecular FormulaC23H11ClF5NO3
Molecular Weight479.79 g/mol
Exact Mass479.03
IUPAC Name4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c(F)cccc32)c(F)c1
InChIInChI=1S/C23H11ClF5NO3/c24-14-4-1-3-13(23(27,28)29)20(14)21(31)12-10-30(18-6-2-5-15(25)19(12)18)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33)
InChIKeyRXFPAAYTOMUIII-UHFFFAOYSA-N
XLogP6.51
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.79
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-1-yl]-3-fluorobenzoic acid
CID 118142070
4-[3-(2,6-dichlorobenzoyl)-4-fluoroindol-1-yl]-2-ethyl-3-fluorobenzoic acid
CID 134204910
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
4-[3-(2-chloro-6-cyclopropylbenzoyl)-7-fluoroindol-1-yl]-3-fluorobenzoic acid
CID 121470718
4-[5-(2-chloro-6-methylbenzoyl)-3,4-dihydro-2H-pyrano[2,3-b]pyrrol-7-yl]-3-fluorobenzoic acid
CID 122454553
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 150802389
4-[3-(2-chloro-6-methylbenzoyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indol-1-yl]-3-fluorobenzoic acid
CID 122454778
4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-2-(trifluoromethyl)benzoic acid
CID 155529423
2-[4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]indol-1-yl]phenyl]-2-hydroxy-1-phenylethanone
CID 121470722
4-[5-chloro-1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrrolo[2,3-c]pyridin-3-yl]-3-fluorobenzoic acid
CID 90041431
1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one
CID 118007769
1-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]pyrrolidine-3-carboxylic acid
CID 73293787

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid (CID 155564665) is 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3C(F)(F)F)c3c(F)cccc32)c(F)c1.
What is the InChIKey of 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid?
The InChIKey is RXFPAAYTOMUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H11ClF5NO3/c24-14-4-1-3-13(23(27,28)29)20(14)21(31)12-10-30(18-6-2-5-15(25)19(12)18)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33).
What are the key properties of 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid?
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid has a molecular weight of 479.79 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 155564665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).