(5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C20H20F3N3O2 — CID 66550061

IUPAC(5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(CNC(=O)C1C2CN(C3C=CC=C3)C[C@H]21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)12-4-3-5-13(8-12)25-17(27)9-24-19(28)18-15-10-26(11-16(15)18)14-6-1-2-7-14/h1-8,14-16,18H,9-11H2,(H,24,28)(H,25,27)/t15-,16?,18?/m1/s1
InChIKeyFMTMIVFRJXNPLU-KLHKWILBSA-N
MW391.39 g/mol
LogP2.43
Rot. Bonds5

About (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 66550061) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID66550061
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name(5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(CNC(=O)C1C2CN(C3C=CC=C3)C[C@H]21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)12-4-3-5-13(8-12)25-17(27)9-24-19(28)18-15-10-26(11-16(15)18)14-6-1-2-7-14/h1-8,14-16,18H,9-11H2,(H,24,28)(H,25,27)/t15-,16?,18?/m1/s1
InChIKeyFMTMIVFRJXNPLU-KLHKWILBSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 66550061) is (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(CNC(=O)C1C2CN(C3C=CC=C3)C[C@H]21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FMTMIVFRJXNPLU-KLHKWILBSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)12-4-3-5-13(8-12)25-17(27)9-24-19(28)18-15-10-26(11-16(15)18)14-6-1-2-7-14/h1-8,14-16,18H,9-11H2,(H,24,28)(H,25,27)/t15-,16?,18?/m1/s1.
What are the key properties of (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyclopenta-2,4-dien-1-yl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 66550061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).