(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide

C14H18FNO2 — CID 115968924

IUPAC(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
SMILESCC(C)(CCO)NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-14(2,9-10-17)16-13(18)8-7-11-5-3-4-6-12(11)15/h3-8,17H,9-10H2,1-2H3,(H,16,18)/b8-7+
InChIKeyBXNFLCBEXJJYPV-BQYQJAHWSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide

(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide (PubChem CID 115968924) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
PubChem CID115968924
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
SMILESCC(C)(CCO)NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-14(2,9-10-17)16-13(18)8-7-11-5-3-4-6-12(11)15/h3-8,17H,9-10H2,1-2H3,(H,16,18)/b8-7+
InChIKeyBXNFLCBEXJJYPV-BQYQJAHWSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
(E)-3-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500806
methyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277808
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
CID 78972924
(E)-3-(2-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93040792
(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
CID 112674420
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059614
(E)-3-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870200
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide (CID 115968924) is (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide is CC(C)(CCO)NC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is BXNFLCBEXJJYPV-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,9-10-17)16-13(18)8-7-11-5-3-4-6-12(11)15/h3-8,17H,9-10H2,1-2H3,(H,16,18)/b8-7+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 251.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 115968924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).