trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

C17H16F3NO3 — CID 98784919

IUPACtrans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-5-2-1-4-10(13)14(22)9-21-16(23)12-8-11(12)15-6-3-7-24-15/h1-7,11-12,14,22H,8-9H2,(H,21,23)/t11-,12-,14+/m1/s1
InChIKeyKIUUBVMNXMUHBQ-BZPMIXESSA-N
MW339.31 g/mol
LogP3.25
Rot. Bonds5

About trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 98784919) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID98784919
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Nametrans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-5-2-1-4-10(13)14(22)9-21-16(23)12-8-11(12)15-6-3-7-24-15/h1-7,11-12,14,22H,8-9H2,(H,21,23)/t11-,12-,14+/m1/s1
InChIKeyKIUUBVMNXMUHBQ-BZPMIXESSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
2-(furan-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 86852632
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
2-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 47466338
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852828
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
2-(2,3-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 111477167
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
2-(furan-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86851831
cis-(1S,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793149
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (CID 98784919) is trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is O=C(NC[C@H](O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is KIUUBVMNXMUHBQ-BZPMIXESSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)13-5-2-1-4-10(13)14(22)9-21-16(23)12-8-11(12)15-6-3-7-24-15/h1-7,11-12,14,22H,8-9H2,(H,21,23)/t11-,12-,14+/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 98784919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).