N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C14H15F3N2O — CID 102892995

IUPACN-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)C1NCC2CCCC21
InChIInChI=1S/C14H15F3N2O/c15-8-4-10(16)12(17)11(5-8)19-14(20)13-9-3-1-2-7(9)6-18-13/h4-5,7,9,13,18H,1-3,6H2,(H,19,20)
InChIKeyOFELDFWSQMJKQA-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.43
Rot. Bonds2

About N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102892995) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102892995
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)C1NCC2CCCC21
InChIInChI=1S/C14H15F3N2O/c15-8-4-10(16)12(17)11(5-8)19-14(20)13-9-3-1-2-7(9)6-18-13/h4-5,7,9,13,18H,1-3,6H2,(H,19,20)
InChIKeyOFELDFWSQMJKQA-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890193
N-(4-fluoro-2-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890355
N-(3-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890291
N-(2-fluoro-4-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892807
N-(2-fluoro-5-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890637
N-(3-fluoro-4-hydroxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893200
N-(3-chloro-4-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890479
3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-hydroxybenzoic acid
CID 107265247
(3S)-N-(2,3,5-trifluorophenyl)piperidine-3-carboxamide
CID 81139845
N-(4-chloro-2-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890991
N-(2,6-dimethyl-3-pyridinyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893359
N-(1H-indazol-7-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891325

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102892995) is N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(Nc1cc(F)cc(F)c1F)C1NCC2CCCC21.
What is the InChIKey of N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is OFELDFWSQMJKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-8-4-10(16)12(17)11(5-8)19-14(20)13-9-3-1-2-7(9)6-18-13/h4-5,7,9,13,18H,1-3,6H2,(H,19,20).
What are the key properties of N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102892995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).