(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide

C16H22FNO2 — CID 15357554

IUPAC(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@@H](F)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H22FNO2/c1-11(2)10-14(17)16(20)18(4)12(3)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,1,10H2,2-4H3/t12-,14+,15+/m0/s1
InChIKeyAFMUUDUHADAVKX-NWANDNLSSA-N
MW279.36 g/mol
LogP2.87
Rot. Bonds6

About (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide

(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide (PubChem CID 15357554) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide
PubChem CID15357554
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide
SMILESC=C(C)C[C@@H](F)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H22FNO2/c1-11(2)10-14(17)16(20)18(4)12(3)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,1,10H2,2-4H3/t12-,14+,15+/m0/s1
InChIKeyAFMUUDUHADAVKX-NWANDNLSSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide?
The IUPAC name of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide (CID 15357554) is (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide.
What is the SMILES notation for (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide?
The canonical SMILES for (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide is C=C(C)C[C@@H](F)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide?
The InChIKey is AFMUUDUHADAVKX-NWANDNLSSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11(2)10-14(17)16(20)18(4)12(3)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,1,10H2,2-4H3/t12-,14+,15+/m0/s1.
What are the key properties of (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide?
(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide has a molecular weight of 279.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylpent-4-enamide is sourced from PubChem (CID 15357554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).