[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C15H18FN2O2+ — CID 8918803

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H17FN2O2/c1-11(14-3-2-8-20-14)17-10-15(19)18-9-12-4-6-13(16)7-5-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)/p+1/t11-/m0/s1
InChIKeyRDIMIJIZRUMKTA-NSHDSACASA-O
MW277.32 g/mol
LogP1.36
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8918803) has the molecular formula C15H18FN2O2+ and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8918803
Molecular FormulaC15H18FN2O2+
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H17FN2O2/c1-11(14-3-2-8-20-14)17-10-15(19)18-9-12-4-6-13(16)7-5-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)/p+1/t11-/m0/s1
InChIKeyRDIMIJIZRUMKTA-NSHDSACASA-O
XLogP1.36
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8922456
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
CID 8919816
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]azanium
CID 8922795
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8918803) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccco1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is RDIMIJIZRUMKTA-NSHDSACASA-O. The full InChI is InChI=1S/C15H17FN2O2/c1-11(14-3-2-8-20-14)17-10-15(19)18-9-12-4-6-13(16)7-5-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)/p+1/t11-/m0/s1.
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 277.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8918803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).