[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium

C20H17ClF3N2O2+ — CID 7874399

IUPAC[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]Cc1ccco1)c1ccccc1
InChIInChI=1S/C20H16ClF3N2O2/c21-14-8-9-17(16(11-14)20(22,23)24)26-19(27)18(13-5-2-1-3-6-13)25-12-15-7-4-10-28-15/h1-11,18,25H,12H2,(H,26,27)/p+1/t18-/m1/s1
InChIKeyAXUDJJORLXCAQP-GOSISDBHSA-O
MW409.82 g/mol
LogP4.40
Rot. Bonds6

About [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium

[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium (PubChem CID 7874399) has the molecular formula C20H17ClF3N2O2+ and a molecular weight of 409.82 g/mol. Its IUPAC name is [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
PubChem CID7874399
Molecular FormulaC20H17ClF3N2O2+
Molecular Weight409.82 g/mol
Exact Mass409.09
IUPAC Name[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]Cc1ccco1)c1ccccc1
InChIInChI=1S/C20H16ClF3N2O2/c21-14-8-9-17(16(11-14)20(22,23)24)26-19(27)18(13-5-2-1-3-6-13)25-12-15-7-4-10-28-15/h1-11,18,25H,12H2,(H,26,27)/p+1/t18-/m1/s1
InChIKeyAXUDJJORLXCAQP-GOSISDBHSA-O
XLogP4.40
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium with MolForge

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
CID 4842465
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 9357576
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2358430
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-cyclooctylazanium
CID 2440711
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 2534806
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
CID 2440712
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 5061680
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 2358089
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 2562154

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium (CID 7874399) is [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium is O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]Cc1ccco1)c1ccccc1.
What is the InChIKey of [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
The InChIKey is AXUDJJORLXCAQP-GOSISDBHSA-O. The full InChI is InChI=1S/C20H16ClF3N2O2/c21-14-8-9-17(16(11-14)20(22,23)24)26-19(27)18(13-5-2-1-3-6-13)25-12-15-7-4-10-28-15/h1-11,18,25H,12H2,(H,26,27)/p+1/t18-/m1/s1.
What are the key properties of [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium has a molecular weight of 409.82 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7874399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).