5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid

C68H41Cl7F8N8O12 — CID 157403329

IUPAC5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid
SMILESO=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(Cl)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(F)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H9Cl2F3N2O3.C17H11Cl2FN2O3.C17H12Cl2N2O3.C17H9ClF4N2O3/c18-9-2-1-6(3-10(9)19)23-12(25)5-8-7-4-11(20)13(21)14(22)15(7)24-16(8)17(26)27;18-8-1-4-14-10(5-8)11(16(22-14)17(24)25)7-15(23)21-9-2-3-13(20)12(19)6-9;18-12-6-5-9(7-13(12)19)20-15(22)8-11-10-3-1-2-4-14(10)21-16(11)17(23)24;18-9-3-6(1-2-10(9)19)23-12(25)5-8-7-4-11(20)13(21)14(22)15(7)24-16(8)17(26)27/h1-4,24H,5H2,(H,23,25)(H,26,27);1-6,22H,7H2,(H,21,23)(H,24,25);1-7,21H,8H2,(H,20,22)(H,23,24);1-4,24H,5H2,(H,23,25)(H,26,27)
InChIKeyBNKUGIQASNHOAC-UHFFFAOYSA-N
MW1562.27 g/mol
LogP17.88
Rot. Bonds16

About 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid

5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid (PubChem CID 157403329) has the molecular formula C68H41Cl7F8N8O12 and a molecular weight of 1562.27 g/mol. Its IUPAC name is 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid
PubChem CID157403329
Molecular FormulaC68H41Cl7F8N8O12
Molecular Weight1562.27 g/mol
Exact Mass1558.05
IUPAC Name5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid
SMILESO=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(Cl)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(F)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H9Cl2F3N2O3.C17H11Cl2FN2O3.C17H12Cl2N2O3.C17H9ClF4N2O3/c18-9-2-1-6(3-10(9)19)23-12(25)5-8-7-4-11(20)13(21)14(22)15(7)24-16(8)17(26)27;18-8-1-4-14-10(5-8)11(16(22-14)17(24)25)7-15(23)21-9-2-3-13(20)12(19)6-9;18-12-6-5-9(7-13(12)19)20-15(22)8-11-10-3-1-2-4-14(10)21-16(11)17(23)24;18-9-3-6(1-2-10(9)19)23-12(25)5-8-7-4-11(20)13(21)14(22)15(7)24-16(8)17(26)27/h1-4,24H,5H2,(H,23,25)(H,26,27);1-6,22H,7H2,(H,21,23)(H,24,25);1-7,21H,8H2,(H,20,22)(H,23,24);1-4,24H,5H2,(H,23,25)(H,26,27)
InChIKeyBNKUGIQASNHOAC-UHFFFAOYSA-N
XLogP17.88
TPSA328.76 Ų
H-Bond Donors12
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001562.27
LogP ≤ 517.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic 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 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid (CID 157403329) is 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid is O=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(Cl)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2c(F)c(F)c(F)cc12)Nc1ccc(F)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc(F)c(Cl)c1.O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid?
The InChIKey is BNKUGIQASNHOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2O3.C17H11Cl2FN2O3.C17H12Cl2N2O3.C17H9ClF4N2O3/c18-9-2-1-6(3-10(9)19)23-12(25)5-8-7-4-11(20)13(21)14(22)15(7)24-16(8)17(26)27;18-8-1-4-14-10(5-8)11(16(22-14)17(24)25)7-15(23)21-9-2-3-13(20)12(19)6-9;18-12-6-5-9(7-13(12)19)20-15(22)8-11-10-3-1-2-4-14(10)21-16(11)17(23)24;18-9-3-6(1-2-10(9)19)23-12(25)5-8-7-4-11(20)13(21)14(22)15(7)24-16(8)17(26)27/h1-4,24H,5H2,(H,23,25)(H,26,27);1-6,22H,7H2,(H,21,23)(H,24,25);1-7,21H,8H2,(H,20,22)(H,23,24);1-4,24H,5H2,(H,23,25)(H,26,27).
What are the key properties of 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid?
5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid has a molecular weight of 1562.27 g/mol, XLogP of 17.88, 16 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid;3-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trifluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 157403329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).