(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide

C13H16FNO — CID 155664674

IUPAC(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide
SMILESCCC(C)NC(=O)/C(F)=C/c1ccccc1
InChIInChI=1S/C13H16FNO/c1-3-10(2)15-13(16)12(14)9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16)/b12-9-
InChIKeyVXLHLGWWICYUKP-XFXZXTDPSA-N
MW221.28 g/mol
LogP2.91
Rot. Bonds4

About (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide

(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide (PubChem CID 155664674) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide
PubChem CID155664674
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide
SMILESCCC(C)NC(=O)/C(F)=C/c1ccccc1
InChIInChI=1S/C13H16FNO/c1-3-10(2)15-13(16)12(14)9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16)/b12-9-
InChIKeyVXLHLGWWICYUKP-XFXZXTDPSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 807795
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
(E)-2-fluoro-3-phenylprop-2-enoate
CID 20564685
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857
1-(3-anilinopropyl)-3-[(2R)-butan-2-yl]urea
CID 95147782
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide (CID 155664674) is (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide is CCC(C)NC(=O)/C(F)=C/c1ccccc1.
What is the InChIKey of (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide?
The InChIKey is VXLHLGWWICYUKP-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-10(2)15-13(16)12(14)9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16)/b12-9-.
What are the key properties of (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide?
(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide has a molecular weight of 221.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide is sourced from PubChem (CID 155664674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).