5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid

C25H19F3N2O2 — CID 90153164

IUPAC5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H19F3N2O2/c26-25(27,28)18-4-7-20(8-5-18)30-12-11-17-13-19(6-10-23(17)30)29-22-9-3-16(15-1-2-15)14-21(22)24(31)32/h3-15,29H,1-2H2,(H,31,32)
InChIKeyZYXJJMZAJZXIIL-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.97
Rot. Bonds5

About 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid

5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid (PubChem CID 90153164) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid
PubChem CID90153164
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H19F3N2O2/c26-25(27,28)18-4-7-20(8-5-18)30-12-11-17-13-19(6-10-23(17)30)29-22-9-3-16(15-1-2-15)14-21(22)24(31)32/h3-15,29H,1-2H2,(H,31,32)
InChIKeyZYXJJMZAJZXIIL-UHFFFAOYSA-N
XLogP6.97
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]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

Related Compounds

Carmoxirole
CID 57364
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10017976
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10022216
4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CID 25002382
4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CID 25003075
US9682968, Example-25a (+)
CID 90466447
2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
CID 164946663
2-[3-Cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353128
(S)-4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 46890659
2-[2-[(9-Ethylcarbazol-3-yl)carbamoyl]phenyl] benzoic acid
CID 280492
9-(3-fluorobenzyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10019079

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid (CID 90153164) is 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Nc1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid?
The InChIKey is ZYXJJMZAJZXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c26-25(27,28)18-4-7-20(8-5-18)30-12-11-17-13-19(6-10-23(17)30)29-22-9-3-16(15-1-2-15)14-21(22)24(31)32/h3-15,29H,1-2H2,(H,31,32).
What are the key properties of 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid?
5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid has a molecular weight of 436.43 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-[4-(trifluoromethyl)phenyl]indol-5-yl]amino]benzoic acid is sourced from PubChem (CID 90153164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).