3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C31H32F3N3O2 — CID 67656680

IUPAC3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCC(c1cc(NC(=O)c2ccccc2)cc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCC1
InChIInChI=1S/C31H32F3N3O2/c1-2-10-26(37-15-8-9-16-37)25-18-21(36-29(38)20-11-4-3-5-12-20)17-24-22-13-6-7-14-23(22)28(27(24)25)30(39)35-19-31(32,33)34/h3-7,11-14,17-18,26,28H,2,8-10,15-16,19H2,1H3,(H,35,39)(H,36,38)
InChIKeyCPVXLDXQRAYDIU-UHFFFAOYSA-N
MW535.61 g/mol
LogP6.67
Rot. Bonds8

About 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67656680) has the molecular formula C31H32F3N3O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67656680
Molecular FormulaC31H32F3N3O2
Molecular Weight535.61 g/mol
Exact Mass535.24
IUPAC Name3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCC(c1cc(NC(=O)c2ccccc2)cc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCC1
InChIInChI=1S/C31H32F3N3O2/c1-2-10-26(37-15-8-9-16-37)25-18-21(36-29(38)20-11-4-3-5-12-20)17-24-22-13-6-7-14-23(22)28(27(24)25)30(39)35-19-31(32,33)34/h3-7,11-14,17-18,26,28H,2,8-10,15-16,19H2,1H3,(H,35,39)(H,36,38)
InChIKeyCPVXLDXQRAYDIU-UHFFFAOYSA-N
XLogP6.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-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

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67656680) is 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCC(c1cc(NC(=O)c2ccccc2)cc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCC1.
What is the InChIKey of 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is CPVXLDXQRAYDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O2/c1-2-10-26(37-15-8-9-16-37)25-18-21(36-29(38)20-11-4-3-5-12-20)17-24-22-13-6-7-14-23(22)28(27(24)25)30(39)35-19-31(32,33)34/h3-7,11-14,17-18,26,28H,2,8-10,15-16,19H2,1H3,(H,35,39)(H,36,38).
What are the key properties of 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 535.61 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-1-(1-pyrrolidin-1-ylbutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67656680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).