(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide

C17H16FNO2 — CID 78915403

IUPAC(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2/c1-2-3-17(20)19-12-13-4-8-15(9-5-13)21-16-10-6-14(18)7-11-16/h2-11H,12H2,1H3,(H,19,20)/b3-2+
InChIKeyNIEHOFVHPSDTIR-NSCUHMNNSA-N
MW285.32 g/mol
LogP3.81
Rot. Bonds5

About (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide

(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide (PubChem CID 78915403) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
PubChem CID78915403
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2/c1-2-3-17(20)19-12-13-4-8-15(9-5-13)21-16-10-6-14(18)7-11-16/h2-11H,12H2,1H3,(H,19,20)/b3-2+
InChIKeyNIEHOFVHPSDTIR-NSCUHMNNSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenyl)methylamino]-4-oxobut-2-enoate
CID 4740167
(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
(E)-4-[(4-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 711811
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
CID 110470259
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide
CID 154880178
(2S)-2-amino-N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119274865
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
(E)-3-[4-(cyanomethoxy)phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 26796222
[3-(4-fluorophenoxy)-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methylcarbamic acid
CID 66616632

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide?
The IUPAC name of (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide (CID 78915403) is (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide?
The canonical SMILES for (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide is C/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide?
The InChIKey is NIEHOFVHPSDTIR-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-2-3-17(20)19-12-13-4-8-15(9-5-13)21-16-10-6-14(18)7-11-16/h2-11H,12H2,1H3,(H,19,20)/b3-2+.
What are the key properties of (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide?
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide has a molecular weight of 285.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide is sourced from PubChem (CID 78915403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).