9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C35H38F3N3O3 — CID 22891317

IUPAC9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NC1CCCC(C(=O)NCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1)c1ccccc1
InChIInChI=1S/C35H38F3N3O3/c36-35(37,38)23-40-33(44)34(29-18-7-5-16-27(29)28-17-6-8-19-30(28)34)20-9-2-10-21-39-31(42)25-14-11-15-26(22-25)41-32(43)24-12-3-1-4-13-24/h1,3-8,12-13,16-19,25-26H,2,9-11,14-15,20-23H2,(H,39,42)(H,40,44)(H,41,43)
InChIKeyMYQGURZBGZPBIC-UHFFFAOYSA-N
MW605.70 g/mol
LogP6.30
Rot. Bonds11

About 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 22891317) has the molecular formula C35H38F3N3O3 and a molecular weight of 605.70 g/mol. Its IUPAC name is 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID22891317
Molecular FormulaC35H38F3N3O3
Molecular Weight605.70 g/mol
Exact Mass605.29
IUPAC Name9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NC1CCCC(C(=O)NCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1)c1ccccc1
InChIInChI=1S/C35H38F3N3O3/c36-35(37,38)23-40-33(44)34(29-18-7-5-16-27(29)28-17-6-8-19-30(28)34)20-9-2-10-21-39-31(42)25-14-11-15-26(22-25)41-32(43)24-12-3-1-4-13-24/h1,3-8,12-13,16-19,25-26H,2,9-11,14-15,20-23H2,(H,39,42)(H,40,44)(H,41,43)
InChIKeyMYQGURZBGZPBIC-UHFFFAOYSA-N
XLogP6.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(3-benzamidopropanoylamino)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891220
9-[5-[[4-[[hydroxy-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]cyclohexanecarbonyl]amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891339
2-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]ethyl 4-benzamidopiperidine-1-carboxylate
CID 57148250
9-[4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 54147603
2-benzamido-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]pentanediamide
CID 22891072
1-[2-[4-[difluoro-(methylidene-λ3-iodanyl)methyl]phenyl]benzoyl]-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide
CID 162576824
9-[4-[1-oxido-4-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-ium-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 122392074
9-[4-[4-[(2-hydroxybenzoyl)amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 162576696
4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
CID 19705141
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-[5-[3-[[hydroxy(phenyl)methyl]amino]propanoylamino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 147344494
9-[5-[bis(oxolan-2-ylmethoxy)phosphoryl]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891375

Frequently Asked Questions

What is the IUPAC name of 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 22891317) is 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(NC1CCCC(C(=O)NCCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1)c1ccccc1.
What is the InChIKey of 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is MYQGURZBGZPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F3N3O3/c36-35(37,38)23-40-33(44)34(29-18-7-5-16-27(29)28-17-6-8-19-30(28)34)20-9-2-10-21-39-31(42)25-14-11-15-26(22-25)41-32(43)24-12-3-1-4-13-24/h1,3-8,12-13,16-19,25-26H,2,9-11,14-15,20-23H2,(H,39,42)(H,40,44)(H,41,43).
What are the key properties of 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 605.70 g/mol, XLogP of 6.30, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[(3-benzamidocyclohexanecarbonyl)amino]pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 22891317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).