(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide

C16H14FNO2 — CID 163966610

IUPAC(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc(F)c(O)c2)c1
InChIInChI=1S/C16H14FNO2/c1-11-3-2-4-13(9-11)18-16(20)8-6-12-5-7-14(17)15(19)10-12/h2-10,19H,1H3,(H,18,20)/b8-6+
InChIKeySMILOKAIWMUETG-SOFGYWHQSA-N
MW271.29 g/mol
LogP3.49
Rot. Bonds3

About (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide

(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 163966610) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID163966610
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc(F)c(O)c2)c1
InChIInChI=1S/C16H14FNO2/c1-11-3-2-4-13(9-11)18-16(20)8-6-12-5-7-14(17)15(19)10-12/h2-10,19H,1H3,(H,18,20)/b8-6+
InChIKeySMILOKAIWMUETG-SOFGYWHQSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.49
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

3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
N,3-bis(3,4-difluorophenyl)prop-2-enamide
CID 71420101
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide (CID 163966610) is (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2ccc(F)c(O)c2)c1.
What is the InChIKey of (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is SMILOKAIWMUETG-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11-3-2-4-13(9-11)18-16(20)8-6-12-5-7-14(17)15(19)10-12/h2-10,19H,1H3,(H,18,20)/b8-6+.
What are the key properties of (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 163966610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).