(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide

C16H14FNO2 — CID 59498087

IUPAC(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
SMILESC/C(=C\Oc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-12(11-20-15-5-3-2-4-6-15)16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b12-11+
InChIKeyVVIJWVYNKAABTA-VAWYXSNFSA-N
MW271.29 g/mol
LogP3.75
Rot. Bonds4

About (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide

(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide (PubChem CID 59498087) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
PubChem CID59498087
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
SMILESC/C(=C\Oc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-12(11-20-15-5-3-2-4-6-15)16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b12-11+
InChIKeyVVIJWVYNKAABTA-VAWYXSNFSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide
CID 70790245
N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 67542311
N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide
CID 67543008
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide (CID 59498087) is (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide is C/C(=C\Oc1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide?
The InChIKey is VVIJWVYNKAABTA-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-12(11-20-15-5-3-2-4-6-15)16(19)18-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)/b12-11+.
What are the key properties of (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide?
(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide is sourced from PubChem (CID 59498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).