4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide

C19H21FN2O2 — CID 42623272

IUPAC4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
InChIKeyKGAGLEIGFBFXTH-MPMPPSQCSA-N
MW328.39 g/mol
LogP3.37
Rot. Bonds7

About 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide

4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 42623272) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID42623272
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1
InChIKeyKGAGLEIGFBFXTH-MPMPPSQCSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide (CID 42623272) is 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(OC/C(F)=C\CN)cc1)c1ccccc1.
What is the InChIKey of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is KGAGLEIGFBFXTH-MPMPPSQCSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(15-5-3-2-4-6-15)22-19(23)16-7-9-18(10-8-16)24-13-17(20)11-12-21/h2-11,14H,12-13,21H2,1H3,(H,22,23)/b17-11+/t14-/m0/s1.
What are the key properties of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide?
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 42623272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).