2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide

C16H20F3N3O — CID 54673366

IUPAC2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide
SMILESNC(=O)CN[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3)C[C@@H]21
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)11-2-4-12(5-3-11)22-8-10-1-6-14(13(10)9-22)21-7-15(20)23/h2-5,10,13-14,21H,1,6-9H2,(H2,20,23)/t10-,13+,14+/m1/s1
InChIKeyLQENYFTVEFZGRZ-SWHYSGLUSA-N
MW327.35 g/mol
LogP2.00
Rot. Bonds4

About 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide

2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide (PubChem CID 54673366) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide
PubChem CID54673366
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide
SMILESNC(=O)CN[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3)C[C@@H]21
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)11-2-4-12(5-3-11)22-8-10-1-6-14(13(10)9-22)21-7-15(20)23/h2-5,10,13-14,21H,1,6-9H2,(H2,20,23)/t10-,13+,14+/m1/s1
InChIKeyLQENYFTVEFZGRZ-SWHYSGLUSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide?
The IUPAC name of 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide (CID 54673366) is 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide?
The canonical SMILES for 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide is NC(=O)CN[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3)C[C@@H]21.
What is the InChIKey of 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide?
The InChIKey is LQENYFTVEFZGRZ-SWHYSGLUSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)11-2-4-12(5-3-11)22-8-10-1-6-14(13(10)9-22)21-7-15(20)23/h2-5,10,13-14,21H,1,6-9H2,(H2,20,23)/t10-,13+,14+/m1/s1.
What are the key properties of 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide?
2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide has a molecular weight of 327.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,4S,6aS)-2-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]acetamide is sourced from PubChem (CID 54673366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).