9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid

C78H58F12N4O9 — CID 158350518

IUPAC9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
SMILESO=C(NCC(F)(F)F)C1(CCO)c2ccccc2-c2ccccc21.O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.O=C(OCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C39H28F6N2O4.C21H14F3NO3.C18H16F3NO2/c40-38(41,42)23-46-36(50)37(32-11-5-3-8-29(32)30-9-4-6-12-33(30)37)21-22-51-35(49)25-15-19-27(20-16-25)47-34(48)31-10-2-1-7-28(31)24-13-17-26(18-14-24)39(43,44)45;22-21(23,24)15-9-5-13(6-10-15)17-3-1-2-4-18(17)19(26)25-16-11-7-14(8-12-16)20(27)28;19-18(20,21)11-22-16(24)17(9-10-23)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-20H,21-23H2,(H,46,50)(H,47,48);1-12H,(H,25,26)(H,27,28);1-8,23H,9-11H2,(H,22,24)
InChIKeyGSGHGYKXRBIBSU-UHFFFAOYSA-N
MW1423.32 g/mol
LogP17.15
Rot. Bonds17

About 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid

9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid (PubChem CID 158350518) has the molecular formula C78H58F12N4O9 and a molecular weight of 1423.32 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
PubChem CID158350518
Molecular FormulaC78H58F12N4O9
Molecular Weight1423.32 g/mol
Exact Mass1422.40
IUPAC Name9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
SMILESO=C(NCC(F)(F)F)C1(CCO)c2ccccc2-c2ccccc21.O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.O=C(OCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C39H28F6N2O4.C21H14F3NO3.C18H16F3NO2/c40-38(41,42)23-46-36(50)37(32-11-5-3-8-29(32)30-9-4-6-12-33(30)37)21-22-51-35(49)25-15-19-27(20-16-25)47-34(48)31-10-2-1-7-28(31)24-13-17-26(18-14-24)39(43,44)45;22-21(23,24)15-9-5-13(6-10-15)17-3-1-2-4-18(17)19(26)25-16-11-7-14(8-12-16)20(27)28;19-18(20,21)11-22-16(24)17(9-10-23)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-20H,21-23H2,(H,46,50)(H,47,48);1-12H,(H,25,26)(H,27,28);1-8,23H,9-11H2,(H,22,24)
InChIKeyGSGHGYKXRBIBSU-UHFFFAOYSA-N
XLogP17.15
TPSA200.23 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.32
LogP ≤ 517.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid with MolForge

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Related Compounds

Ethyl 2-fluoro-4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperazin-1-yl]benzoate
CID 22180200
ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluoren-9-yl]butyl]piperazin-1-yl]benzoate
CID 22180424
ethyl 4-[4-[5-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluoren-9-yl]pentyl]piperazin-1-yl]benzoate
CID 22180446
ethyl 4-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluoren-9-yl]propyl]piperazin-1-yl]benzoate
CID 22180539
Ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperazin-1-yl]-2-(trifluoromethyl)benzoate
CID 22180600
N-(2,2,2-trifluoroethyl)-9-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]methoxy]ethyl]fluorene-9-carboxamide
CID 22891464
2-(9H-fluoren-9-yl)ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate
CID 57465433
2-[(2-Phenylbenzoyl)amino]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate
CID 57465434
[4-(Ethylamino)-3-(ethylcarbamoyl)-4-oxo-3-phenylbutyl] 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate
CID 57465435
[3-Naphthalen-1-yl-4-oxo-4-(2,2,2-trifluoroethylamino)butyl] 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate
CID 57465448
2-[[2-(2-Phenylphenyl)acetyl]amino]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate
CID 57473724
[9-(2,2,2-Trifluoroethylcarbamoyl)fluoren-9-yl]methyl 2-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate
CID 57503393

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
The IUPAC name of 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid (CID 158350518) is 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid is O=C(NCC(F)(F)F)C1(CCO)c2ccccc2-c2ccccc21.O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.O=C(OCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
The InChIKey is GSGHGYKXRBIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28F6N2O4.C21H14F3NO3.C18H16F3NO2/c40-38(41,42)23-46-36(50)37(32-11-5-3-8-29(32)30-9-4-6-12-33(30)37)21-22-51-35(49)25-15-19-27(20-16-25)47-34(48)31-10-2-1-7-28(31)24-13-17-26(18-14-24)39(43,44)45;22-21(23,24)15-9-5-13(6-10-15)17-3-1-2-4-18(17)19(26)25-16-11-7-14(8-12-16)20(27)28;19-18(20,21)11-22-16(24)17(9-10-23)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-20H,21-23H2,(H,46,50)(H,47,48);1-12H,(H,25,26)(H,27,28);1-8,23H,9-11H2,(H,22,24).
What are the key properties of 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid has a molecular weight of 1423.32 g/mol, XLogP of 17.15, 17 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoate;4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 158350518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).