N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide

C18H19F6N3O2 — CID 87741167

IUPACN-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1)NC1CC2CNCC2C1
InChIInChI=1S/C18H19F6N3O2/c19-17(20,21)12-2-1-3-14(6-12)27(16(29)18(22,23)24)9-15(28)26-13-4-10-7-25-8-11(10)5-13/h1-3,6,10-11,13,25H,4-5,7-9H2,(H,26,28)
InChIKeyWASBXYOWLIQBCN-UHFFFAOYSA-N
MW423.36 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide

N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 87741167) has the molecular formula C18H19F6N3O2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID87741167
Molecular FormulaC18H19F6N3O2
Molecular Weight423.36 g/mol
Exact Mass423.14
IUPAC NameN-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1)NC1CC2CNCC2C1
InChIInChI=1S/C18H19F6N3O2/c19-17(20,21)12-2-1-3-14(6-12)27(16(29)18(22,23)24)9-15(28)26-13-4-10-7-25-8-11(10)5-13/h1-3,6,10-11,13,25H,4-5,7-9H2,(H,26,28)
InChIKeyWASBXYOWLIQBCN-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1454984
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 113175232
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
N-[[(1R,2S,6R,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 98106146
N-[[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124715812
N'-[2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 3204903
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 113175197
N-cyclohexyl-2-[N-[2-[(R)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]acetyl]-3-(trifluoromethyl)anilino]acetamide
CID 98097390

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide (CID 87741167) is N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1)NC1CC2CNCC2C1.
What is the InChIKey of N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WASBXYOWLIQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N3O2/c19-17(20,21)12-2-1-3-14(6-12)27(16(29)18(22,23)24)9-15(28)26-13-4-10-7-25-8-11(10)5-13/h1-3,6,10-11,13,25H,4-5,7-9H2,(H,26,28).
What are the key properties of N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 423.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 87741167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).