N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C35H30F3N3O2 — CID 67629425

IUPACN-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1ccc3c(NC(=O)c4ccccc4)cccc31)c1ccccc1-2
InChIInChI=1S/C35H30F3N3O2/c1-2-3-11-23-14-9-17-26-25-15-7-8-16-27(25)32(31(23)26)34(43)41(22-35(36,37)38)40-21-20-28-29(18-10-19-30(28)40)39-33(42)24-12-5-4-6-13-24/h4-10,12-21,32H,2-3,11,22H2,1H3,(H,39,42)
InChIKeySFBVVSKJEQTLOT-UHFFFAOYSA-N
MW581.64 g/mol
LogP8.08
Rot. Bonds8

About N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67629425) has the molecular formula C35H30F3N3O2 and a molecular weight of 581.64 g/mol. Its IUPAC name is N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67629425
Molecular FormulaC35H30F3N3O2
Molecular Weight581.64 g/mol
Exact Mass581.23
IUPAC NameN-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1ccc3c(NC(=O)c4ccccc4)cccc31)c1ccccc1-2
InChIInChI=1S/C35H30F3N3O2/c1-2-3-11-23-14-9-17-26-25-15-7-8-16-27(25)32(31(23)26)34(43)41(22-35(36,37)38)40-21-20-28-29(18-10-19-30(28)40)39-33(42)24-12-5-4-6-13-24/h4-10,12-21,32H,2-3,11,22H2,1H3,(H,39,42)
InChIKeySFBVVSKJEQTLOT-UHFFFAOYSA-N
XLogP8.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.64
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-benzamidoindol-1-yl)-1-butyl-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 N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67629425) is N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1ccc3c(NC(=O)c4ccccc4)cccc31)c1ccccc1-2.
What is the InChIKey of N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is SFBVVSKJEQTLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3N3O2/c1-2-3-11-23-14-9-17-26-25-15-7-8-16-27(25)32(31(23)26)34(43)41(22-35(36,37)38)40-21-20-28-29(18-10-19-30(28)40)39-33(42)24-12-5-4-6-13-24/h4-10,12-21,32H,2-3,11,22H2,1H3,(H,39,42).
What are the key properties of N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 581.64 g/mol, XLogP of 8.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidoindol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67629425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).