1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C30H24F5N3O3 — CID 90062999

IUPAC1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)c(F)cc(-c3ccc(F)cc3)c21
InChIInChI=1S/C30H24F5N3O3/c1-29(2)16-38(26-25(29)21(15-22(32)27(26)39)17-7-9-18(31)10-8-17)24-6-4-3-5-23(24)37-28(40)36-19-11-13-20(14-12-19)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
InChIKeyBENMEJNWNXDMOH-UHFFFAOYSA-N
MW569.53 g/mol
LogP8.31
Rot. Bonds5

About 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 90062999) has the molecular formula C30H24F5N3O3 and a molecular weight of 569.53 g/mol. Its IUPAC name is 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID90062999
Molecular FormulaC30H24F5N3O3
Molecular Weight569.53 g/mol
Exact Mass569.17
IUPAC Name1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)c(F)cc(-c3ccc(F)cc3)c21
InChIInChI=1S/C30H24F5N3O3/c1-29(2)16-38(26-25(29)21(15-22(32)27(26)39)17-7-9-18(31)10-8-17)24-6-4-3-5-23(24)37-28(40)36-19-11-13-20(14-12-19)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
InChIKeyBENMEJNWNXDMOH-UHFFFAOYSA-N
XLogP8.31
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.53
LogP ≤ 58.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea 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 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 90062999) is 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)c(F)cc(-c3ccc(F)cc3)c21.
What is the InChIKey of 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is BENMEJNWNXDMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F5N3O3/c1-29(2)16-38(26-25(29)21(15-22(32)27(26)39)17-7-9-18(31)10-8-17)24-6-4-3-5-23(24)37-28(40)36-19-11-13-20(14-12-19)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40).
What are the key properties of 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 569.53 g/mol, XLogP of 8.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-fluoro-4-(4-fluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 90062999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).