5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid

C17H11ClF3NO3 — CID 141247478

IUPAC5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11ClF3NO3/c18-12-3-6-14-11(7-12)8-15(16(23)24)22(14)9-10-1-4-13(5-2-10)25-17(19,20)21/h1-8H,9H2,(H,23,24)
InChIKeyWZUOUEGTEOCRFP-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.94
Rot. Bonds4

About 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid

5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid (PubChem CID 141247478) has the molecular formula C17H11ClF3NO3 and a molecular weight of 369.73 g/mol. Its IUPAC name is 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
PubChem CID141247478
Molecular FormulaC17H11ClF3NO3
Molecular Weight369.73 g/mol
Exact Mass369.04
IUPAC Name5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11ClF3NO3/c18-12-3-6-14-11(7-12)8-15(16(23)24)22(14)9-10-1-4-13(5-2-10)25-17(19,20)21/h1-8H,9H2,(H,23,24)
InChIKeyWZUOUEGTEOCRFP-UHFFFAOYSA-N
XLogP4.94
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
ethyl 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxyindole-2-carboxylate
CID 22259366
6-chloro-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]indole-2-carboxylic acid
CID 127053023
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
1-[(4-bromo-3-fluorophenyl)methyl]-5-hydroxyindole-2-carboxylic acid
CID 10133343
1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-hydroxyindole-2-carboxylic acid
CID 10291672
3-[[2-phenyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoic acid
CID 67684519
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
1-[(3,4-dichlorophenyl)methyl]-6-fluoro-5-methoxyindole-2-carboxylic acid
CID 141037211
1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
CID 22310949
5-(carboxymethylamino)-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid
CID 22310878
6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid (CID 141247478) is 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid is O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
The InChIKey is WZUOUEGTEOCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO3/c18-12-3-6-14-11(7-12)8-15(16(23)24)22(14)9-10-1-4-13(5-2-10)25-17(19,20)21/h1-8H,9H2,(H,23,24).
What are the key properties of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid has a molecular weight of 369.73 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid is sourced from PubChem (CID 141247478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).