9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C29H34F3N3O3 — CID 22891217

IUPAC9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)NCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C29H34F3N3O3/c1-19(36)35-21-10-8-9-20(17-21)26(37)33-16-7-6-15-28(27(38)34-18-29(30,31)32)24-13-4-2-11-22(24)23-12-3-5-14-25(23)28/h2-5,11-14,20-21H,6-10,15-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyRUTIBCAEBQIIJH-UHFFFAOYSA-N
MW529.60 g/mol
LogP4.61
Rot. Bonds9

About 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 22891217) has the molecular formula C29H34F3N3O3 and a molecular weight of 529.60 g/mol. Its IUPAC name is 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID22891217
Molecular FormulaC29H34F3N3O3
Molecular Weight529.60 g/mol
Exact Mass529.26
IUPAC Name9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)NCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C29H34F3N3O3/c1-19(36)35-21-10-8-9-20(17-21)26(37)33-16-7-6-15-28(27(38)34-18-29(30,31)32)24-13-4-2-11-22(24)23-12-3-5-14-25(23)28/h2-5,11-14,20-21H,6-10,15-18H2,1H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyRUTIBCAEBQIIJH-UHFFFAOYSA-N
XLogP4.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-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

Indecainide
CID 52195
Indecainide Hydrochloride
CID 52194
Fce 28260
CID 132992
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263511
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263512
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-prop-2-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263515
(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263516
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45265877

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 22891217) is 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is CC(=O)NC1CCCC(C(=O)NCCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is RUTIBCAEBQIIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N3O3/c1-19(36)35-21-10-8-9-20(17-21)26(37)33-16-7-6-15-28(27(38)34-18-29(30,31)32)24-13-4-2-11-22(24)23-12-3-5-14-25(23)28/h2-5,11-14,20-21H,6-10,15-18H2,1H3,(H,33,37)(H,34,38)(H,35,36).
What are the key properties of 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 4.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(3-acetamidocyclohexanecarbonyl)amino]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 22891217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).