1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid

C92H55ClF14N6O14 — CID 159287108

IUPAC1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2cc(F)c(F)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)cc(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)ccc2F)c1.O=C(O)c1ccc2c(ccn2-c2ccc(Cl)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1.O=C(O)c1ccc2c(ccn2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/2C16H10F3NO3.C15H9ClFNO2.C15H8F3NO2.2C15H9F2NO2/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20;17-16(18,19)23-13-3-1-2-12(9-13)20-7-6-10-8-11(15(21)22)4-5-14(10)20;16-12-3-2-11(8-13(12)17)18-6-5-9-7-10(15(19)20)1-4-14(9)18;16-11-6-10(7-12(17)14(11)18)19-4-3-8-5-9(15(20)21)1-2-13(8)19;16-11-2-3-12(17)14(8-11)18-6-5-9-7-10(15(19)20)1-4-13(9)18;16-11-6-12(17)8-13(7-11)18-4-3-9-5-10(15(19)20)1-2-14(9)18/h2*1-9H,(H,21,22);1-8H,(H,19,20);1-7H,(H,20,21);2*1-8H,(H,19,20)
InChIKeyKZQNFJZCXPOWMJ-UHFFFAOYSA-N
MW1769.90 g/mol
LogP23.54
Rot. Bonds14

About 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid

1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid (PubChem CID 159287108) has the molecular formula C92H55ClF14N6O14 and a molecular weight of 1769.90 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
PubChem CID159287108
Molecular FormulaC92H55ClF14N6O14
Molecular Weight1769.90 g/mol
Exact Mass1768.32
IUPAC Name1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2cc(F)c(F)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)cc(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)ccc2F)c1.O=C(O)c1ccc2c(ccn2-c2ccc(Cl)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1.O=C(O)c1ccc2c(ccn2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/2C16H10F3NO3.C15H9ClFNO2.C15H8F3NO2.2C15H9F2NO2/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20;17-16(18,19)23-13-3-1-2-12(9-13)20-7-6-10-8-11(15(21)22)4-5-14(10)20;16-12-3-2-11(8-13(12)17)18-6-5-9-7-10(15(19)20)1-4-14(9)18;16-11-6-10(7-12(17)14(11)18)19-4-3-8-5-9(15(20)21)1-2-13(8)19;16-11-2-3-12(17)14(8-11)18-6-5-9-7-10(15(19)20)1-4-13(9)18;16-11-6-12(17)8-13(7-11)18-4-3-9-5-10(15(19)20)1-2-14(9)18/h2*1-9H,(H,21,22);1-8H,(H,19,20);1-7H,(H,20,21);2*1-8H,(H,19,20)
InChIKeyKZQNFJZCXPOWMJ-UHFFFAOYSA-N
XLogP23.54
TPSA271.84 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001769.90
LogP ≤ 523.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-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

Related Compounds

2-[1-Butyl-5-(4-chlorophenyl)indol-3-yl]-2-oxoacetic acid;2-[1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
CID 68819339
1-(3-Methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid
CID 91383066
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 157275312
2-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-methylindol-3-yl]acetic acid;3-(carboxymethyl)-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indole-5-carboxylic acid;1-(3,5-dichlorobenzoyl)indole-3-carboxylic acid;2-[2,5-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4-fluoro-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;1-[4-(trifluoromethyl)benzoyl]indole-3-carboxylic acid
CID 157474604
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 157710840
3-[1-(4-Tert-butylphenyl)pyrrol-3-yl]benzoic acid;4-[1-[3-(1,1-difluoroethoxy)phenyl]pyrrol-3-yl]benzoic acid;4-[1-[4-(difluoromethoxy)phenyl]pyrrol-3-yl]benzoic acid;4-[1-(4-methoxycarbonylphenyl)pyrrol-3-yl]benzoic acid
CID 158053128
4-[1-(3-Chloro-5-methylphenyl)pyrrol-3-yl]benzoic acid;3-[1-[2-(1,1-difluoroethyl)phenyl]pyrrol-3-yl]benzoic acid;4-[1-(3-ethylphenyl)pyrrol-3-yl]benzoic acid;3-[1-[3-(1-fluoroethoxy)phenyl]pyrrol-3-yl]benzoic acid;4-[1-[3-(1-fluoroethoxy)phenyl]pyrrol-3-yl]benzoic acid
CID 158770595
2-[1-(4-Chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetaldehyde;2-[1-(4-chlorobenzoyl)-5-methoxy-2-(trifluoromethyl)indol-3-yl]acetaldehyde;(4-chlorophenyl)-(2,5-dimethyl-3-propylindol-1-yl)methanone;(4-chlorophenyl)-(3-ethyl-2,5-dimethylindol-1-yl)methanone
CID 158797493
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-(2-methoxy-4-pyridinyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 158912201
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 159228066
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 160088405
1-(4-Chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 160364738

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid (CID 159287108) is 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2cc(F)c(F)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)cc(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2cc(F)ccc2F)c1.O=C(O)c1ccc2c(ccn2-c2ccc(Cl)c(F)c2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1.O=C(O)c1ccc2c(ccn2-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
The InChIKey is KZQNFJZCXPOWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10F3NO3.C15H9ClFNO2.C15H8F3NO2.2C15H9F2NO2/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20;17-16(18,19)23-13-3-1-2-12(9-13)20-7-6-10-8-11(15(21)22)4-5-14(10)20;16-12-3-2-11(8-13(12)17)18-6-5-9-7-10(15(19)20)1-4-14(9)18;16-11-6-10(7-12(17)14(11)18)19-4-3-8-5-9(15(20)21)1-2-13(8)19;16-11-2-3-12(17)14(8-11)18-6-5-9-7-10(15(19)20)1-4-13(9)18;16-11-6-12(17)8-13(7-11)18-4-3-9-5-10(15(19)20)1-2-14(9)18/h2*1-9H,(H,21,22);1-8H,(H,19,20);1-7H,(H,20,21);2*1-8H,(H,19,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid?
1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid has a molecular weight of 1769.90 g/mol, XLogP of 23.54, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)indole-5-carboxylic acid;1-(2,5-difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[3-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid is sourced from PubChem (CID 159287108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).