9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C38H38F3N3O3 — CID 18944296

IUPAC9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESCC(CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)N1CCC(NC(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C38H38F3N3O3/c1-26(44-23-21-27(24-44)43-35(45)31-17-7-10-20-34(31)47-28-13-3-2-4-14-28)12-11-22-37(36(46)42-25-38(39,40)41)32-18-8-5-15-29(32)30-16-6-9-19-33(30)37/h2-10,13-20,26-27H,11-12,21-25H2,1H3,(H,42,46)(H,43,45)
InChIKeyPHLDJCKBJPTFPG-UHFFFAOYSA-N
MW641.73 g/mol
LogP7.49
Rot. Bonds11

About 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 18944296) has the molecular formula C38H38F3N3O3 and a molecular weight of 641.73 g/mol. Its IUPAC name is 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID18944296
Molecular FormulaC38H38F3N3O3
Molecular Weight641.73 g/mol
Exact Mass641.29
IUPAC Name9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESCC(CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)N1CCC(NC(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C38H38F3N3O3/c1-26(44-23-21-27(24-44)43-35(45)31-17-7-10-20-34(31)47-28-13-3-2-4-14-28)12-11-22-37(36(46)42-25-38(39,40)41)32-18-8-5-15-29(32)30-16-6-9-19-33(30)37/h2-10,13-20,26-27H,11-12,21-25H2,1H3,(H,42,46)(H,43,45)
InChIKeyPHLDJCKBJPTFPG-UHFFFAOYSA-N
XLogP7.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide 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

9-[4-[3-[(2-phenoxybenzoyl)amino]azetidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 67718432
3,6-difluoro-9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 18944317
9-[4-[4-[(2-hydroxybenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 162576696
9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54531955
9-[4-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22636256
2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-benzamidopiperidine-1-carboxylate
CID 57148250
9-[4-[4-(pentanoylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54156865
9-[4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54147603
9-[4-[4-[(6-phenylcyclohexene-1-carbonyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 19705166
N-(2,2,2-trifluoroethyl)-9-[3-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]cyclohexyl]amino]propyl]fluorene-9-carboxamide;hydrochloride
CID 158616940
4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
CID 19705141
9-[4-[4-[[5-chloro-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 19705176

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 18944296) is 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is CC(CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)N1CCC(NC(=O)c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is PHLDJCKBJPTFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F3N3O3/c1-26(44-23-21-27(24-44)43-35(45)31-17-7-10-20-34(31)47-28-13-3-2-4-14-28)12-11-22-37(36(46)42-25-38(39,40)41)32-18-8-5-15-29(32)30-16-6-9-19-33(30)37/h2-10,13-20,26-27H,11-12,21-25H2,1H3,(H,42,46)(H,43,45).
What are the key properties of 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 641.73 g/mol, XLogP of 7.49, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 18944296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).