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

C32H34F3N3O2 — CID 18944286

IUPAC9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESCC(CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)N1CCC(NC(=O)c2ccccc2)C1
InChIInChI=1S/C32H34F3N3O2/c1-22(38-19-17-24(20-38)37-29(39)23-11-3-2-4-12-23)10-9-18-31(30(40)36-21-32(33,34)35)27-15-7-5-13-25(27)26-14-6-8-16-28(26)31/h2-8,11-16,22,24H,9-10,17-21H2,1H3,(H,36,40)(H,37,39)
InChIKeyRADAHMASFYVHIV-UHFFFAOYSA-N
MW549.64 g/mol
LogP5.69
Rot. Bonds9

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

9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 18944286) has the molecular formula C32H34F3N3O2 and a molecular weight of 549.64 g/mol. Its IUPAC name is 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID18944286
Molecular FormulaC32H34F3N3O2
Molecular Weight549.64 g/mol
Exact Mass549.26
IUPAC Name9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESCC(CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)N1CCC(NC(=O)c2ccccc2)C1
InChIInChI=1S/C32H34F3N3O2/c1-22(38-19-17-24(20-38)37-29(39)23-11-3-2-4-12-23)10-9-18-31(30(40)36-21-32(33,34)35)27-15-7-5-13-25(27)26-14-6-8-16-28(26)31/h2-8,11-16,22,24H,9-10,17-21H2,1H3,(H,36,40)(H,37,39)
InChIKeyRADAHMASFYVHIV-UHFFFAOYSA-N
XLogP5.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.64
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 18944286) is 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-(3-benzamidopyrrolidin-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)c2ccccc2)C1.
What is the InChIKey of 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is RADAHMASFYVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O2/c1-22(38-19-17-24(20-38)37-29(39)23-11-3-2-4-12-23)10-9-18-31(30(40)36-21-32(33,34)35)27-15-7-5-13-25(27)26-14-6-8-16-28(26)31/h2-8,11-16,22,24H,9-10,17-21H2,1H3,(H,36,40)(H,37,39).
What are the key properties of 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 549.64 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-benzamidopyrrolidin-1-yl)pentyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 18944286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).