2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid

C17H11ClF3NO2 — CID 4275640

IUPAC2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C17H11ClF3NO2/c18-13-3-1-2-11-12(8-14(23)24)15(22-16(11)13)9-4-6-10(7-5-9)17(19,20)21/h1-7,22H,8H2,(H,23,24)
InChIKeyBCXJUZIQHSPSOI-UHFFFAOYSA-N
MW353.73 g/mol
LogP5.13
Rot. Bonds3

About 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid

2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid (PubChem CID 4275640) has the molecular formula C17H11ClF3NO2 and a molecular weight of 353.73 g/mol. Its IUPAC name is 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
PubChem CID4275640
Molecular FormulaC17H11ClF3NO2
Molecular Weight353.73 g/mol
Exact Mass353.04
IUPAC Name2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C17H11ClF3NO2/c18-13-3-1-2-11-12(8-14(23)24)15(22-16(11)13)9-4-6-10(7-5-9)17(19,20)21/h1-7,22H,8H2,(H,23,24)
InChIKeyBCXJUZIQHSPSOI-UHFFFAOYSA-N
XLogP5.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.73
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic 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

2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
CID 132992776
2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid
CID 43381492
3-(carboxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid
CID 3956737
2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 43542803
3-[2-(4-bromophenyl)-7-chloro-1H-indol-3-yl]propanoic acid
CID 165440969
2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 5137244
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
CID 3264642
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
CID 5132474
2-[2-(4-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 4280037

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid (CID 4275640) is 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
The InChIKey is BCXJUZIQHSPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO2/c18-13-3-1-2-11-12(8-14(23)24)15(22-16(11)13)9-4-6-10(7-5-9)17(19,20)21/h1-7,22H,8H2,(H,23,24).
What are the key properties of 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid?
2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid has a molecular weight of 353.73 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4275640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).