9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C38H39F3N4O2 — CID 54531955

IUPAC9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C38H39F3N4O2/c39-38(40,41)26-42-36(47)37(32-17-7-4-14-29(32)30-15-5-8-18-33(30)37)22-10-11-23-45-24-20-28(21-25-45)44-35(46)31-16-6-9-19-34(31)43-27-12-2-1-3-13-27/h1-9,12-19,28,43H,10-11,20-26H2,(H,42,47)(H,44,46)
InChIKeyYXEATNZWJVLLIA-UHFFFAOYSA-N
MW640.75 g/mol
LogP7.44
Rot. Bonds11

About 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 54531955) has the molecular formula C38H39F3N4O2 and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID54531955
Molecular FormulaC38H39F3N4O2
Molecular Weight640.75 g/mol
Exact Mass640.30
IUPAC Name9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C38H39F3N4O2/c39-38(40,41)26-42-36(47)37(32-17-7-4-14-29(32)30-15-5-8-18-33(30)37)22-10-11-23-45-24-20-28(21-25-45)44-35(46)31-16-6-9-19-34(31)43-27-12-2-1-3-13-27/h1-9,12-19,28,43H,10-11,20-26H2,(H,42,47)(H,44,46)
InChIKeyYXEATNZWJVLLIA-UHFFFAOYSA-N
XLogP7.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 57.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-[(2-hydroxybenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 162576696
9-[4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54147603
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-(pentanoylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54156865
9-[4-[4-[(6-phenylcyclohexene-1-carbonyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 19705166
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
9-[4-[3-[(2-phenoxybenzoyl)amino]azetidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 67718432
N-(2,2,2-trifluoroethyl)-9-[4-[4-[[4-(trifluoromethyl)benzoyl]amino]piperidin-1-yl]butyl]-1,2,3,4-tetrahydrofluorene-9-carboxamide
CID 162576642
9-[4-(4-phenylpiperazin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 15475487
N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)-1,2-dihydrofluoren-9-yl]butyl]piperidin-4-yl]-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 163514406
3-methyl-1-[4-[4-[(2-morpholin-4-ylbenzoyl)amino]piperidin-1-yl]butyl]-2-[(Z)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)indene-1-carboxamide
CID 162576646
3,6-difluoro-9-[4-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 18944317

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 54531955) is 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is YXEATNZWJVLLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39F3N4O2/c39-38(40,41)26-42-36(47)37(32-17-7-4-14-29(32)30-15-5-8-18-33(30)37)22-10-11-23-45-24-20-28(21-25-45)44-35(46)31-16-6-9-19-34(31)43-27-12-2-1-3-13-27/h1-9,12-19,28,43H,10-11,20-26H2,(H,42,47)(H,44,46).
What are the key properties of 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 640.75 g/mol, XLogP of 7.44, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[(2-anilinobenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 54531955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).