2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid

C19H16Cl2F3NO2 — CID 146493844

IUPAC2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid
SMILESCC1=C[C@](C)(C(F)(F)F)Cc2cc(Cc3c(Cl)ccc(C(=O)O)c3Cl)[nH]c21
InChIInChI=1S/C19H16Cl2F3NO2/c1-9-7-18(2,19(22,23)24)8-10-5-11(25-16(9)10)6-13-14(20)4-3-12(15(13)21)17(26)27/h3-5,7,25H,6,8H2,1-2H3,(H,26,27)/t18-/m0/s1
InChIKeyGVBMHTHVUKBPDR-SFHVURJKSA-N
MW418.24 g/mol
LogP6.14
Rot. Bonds3

About 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid

2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid (PubChem CID 146493844) has the molecular formula C19H16Cl2F3NO2 and a molecular weight of 418.24 g/mol. Its IUPAC name is 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid
PubChem CID146493844
Molecular FormulaC19H16Cl2F3NO2
Molecular Weight418.24 g/mol
Exact Mass417.05
IUPAC Name2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid
SMILESCC1=C[C@](C)(C(F)(F)F)Cc2cc(Cc3c(Cl)ccc(C(=O)O)c3Cl)[nH]c21
InChIInChI=1S/C19H16Cl2F3NO2/c1-9-7-18(2,19(22,23)24)8-10-5-11(25-16(9)10)6-13-14(20)4-3-12(15(13)21)17(26)27/h3-5,7,25H,6,8H2,1-2H3,(H,26,27)/t18-/m0/s1
InChIKeyGVBMHTHVUKBPDR-SFHVURJKSA-N
XLogP6.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.24
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid?
The IUPAC name of 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid (CID 146493844) is 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid is CC1=C[C@](C)(C(F)(F)F)Cc2cc(Cc3c(Cl)ccc(C(=O)O)c3Cl)[nH]c21.
What is the InChIKey of 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid?
The InChIKey is GVBMHTHVUKBPDR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO2/c1-9-7-18(2,19(22,23)24)8-10-5-11(25-16(9)10)6-13-14(20)4-3-12(15(13)21)17(26)27/h3-5,7,25H,6,8H2,1-2H3,(H,26,27)/t18-/m0/s1.
What are the key properties of 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid?
2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid has a molecular weight of 418.24 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 146493844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).