2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide

C26H31F3N4O3 — CID 22891070

IUPAC2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide
SMILESNC(=O)CCC(N)C(=O)NCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H31F3N4O3/c27-26(28,29)16-33-24(36)25(14-6-1-7-15-32-23(35)21(30)12-13-22(31)34)19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-5,8-11,21H,1,6-7,12-16,30H2,(H2,31,34)(H,32,35)(H,33,36)
InChIKeyKBRIHIJVGIBGII-UHFFFAOYSA-N
MW504.55 g/mol
LogP2.90
Rot. Bonds12

About 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide

2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide (PubChem CID 22891070) has the molecular formula C26H31F3N4O3 and a molecular weight of 504.55 g/mol. Its IUPAC name is 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide.

Molecular Properties

Compound Name2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide
PubChem CID22891070
Molecular FormulaC26H31F3N4O3
Molecular Weight504.55 g/mol
Exact Mass504.23
IUPAC Name2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide
SMILESNC(=O)CCC(N)C(=O)NCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H31F3N4O3/c27-26(28,29)16-33-24(36)25(14-6-1-7-15-32-23(35)21(30)12-13-22(31)34)19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-5,8-11,21H,1,6-7,12-16,30H2,(H2,31,34)(H,32,35)(H,33,36)
InChIKeyKBRIHIJVGIBGII-UHFFFAOYSA-N
XLogP2.90
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide
CID 22891072
9-[4-(3-benzamidopropanoylamino)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891220
9-(5-diethoxyphosphorylpentyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 15428268
N-(2,2,2-trifluoroethyl)-9-[4-[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoylamino]butyl]fluorene-9-carboxamide
CID 22891473
9-[4-(4-phenylpiperazin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 15475487
9-[5-[bis(pyridin-4-ylmethoxy)phosphoryl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891373
9-[5-[[4-[[hydroxy-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]cyclohexanecarbonyl]amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891339
9-[4-[4-(pentanoylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54156865
1-benzyl-N-[3-oxo-3-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butylamino]propyl]piperidine-2-carboxamide
CID 10189527
9-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22640142
N-benzyl-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide
CID 22891577
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
CID 104984699

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide?
The IUPAC name of 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide (CID 22891070) is 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide.
What is the SMILES notation for 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide?
The canonical SMILES for 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide is NC(=O)CCC(N)C(=O)NCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide?
The InChIKey is KBRIHIJVGIBGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O3/c27-26(28,29)16-33-24(36)25(14-6-1-7-15-32-23(35)21(30)12-13-22(31)34)19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-5,8-11,21H,1,6-7,12-16,30H2,(H2,31,34)(H,32,35)(H,33,36).
What are the key properties of 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide?
2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide has a molecular weight of 504.55 g/mol, XLogP of 2.90, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide is sourced from PubChem (CID 22891070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).