N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C32H34F3N3O2 — CID 67628629

IUPACN-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESNCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(C3CCC(NC(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C32H34F3N3O2/c33-32(34,35)20-38(19-7-18-36)31(40)29-27-11-5-4-10-25(27)26-13-6-12-24(28(26)29)21-14-16-23(17-15-21)37-30(39)22-8-2-1-3-9-22/h1-6,8-13,21,23,29H,7,14-20,36H2,(H,37,39)
InChIKeyZIPMIKXAGIRBBE-UHFFFAOYSA-N
MW549.64 g/mol
LogP5.99
Rot. Bonds8

About N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67628629) has the molecular formula C32H34F3N3O2 and a molecular weight of 549.64 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67628629
Molecular FormulaC32H34F3N3O2
Molecular Weight549.64 g/mol
Exact Mass549.26
IUPAC NameN-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESNCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(C3CCC(NC(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C32H34F3N3O2/c33-32(34,35)20-38(19-7-18-36)31(40)29-27-11-5-4-10-25(27)26-13-6-12-24(28(26)29)21-14-16-23(17-15-21)37-30(39)22-8-2-1-3-9-22/h1-6,8-13,21,23,29H,7,14-20,36H2,(H,37,39)
InChIKeyZIPMIKXAGIRBBE-UHFFFAOYSA-N
XLogP5.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.64
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67628629) is N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is NCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(C3CCC(NC(=O)c4ccccc4)CC3)c21.
What is the InChIKey of N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is ZIPMIKXAGIRBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O2/c33-32(34,35)20-38(19-7-18-36)31(40)29-27-11-5-4-10-25(27)26-13-6-12-24(28(26)29)21-14-16-23(17-15-21)37-30(39)22-8-2-1-3-9-22/h1-6,8-13,21,23,29H,7,14-20,36H2,(H,37,39).
What are the key properties of N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 549.64 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(4-benzamidocyclohexyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67628629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).