N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide

C17H14FNO3 — CID 39735035

IUPACN-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccccc2F)c1
InChIInChI=1S/C17H14FNO3/c1-11(20)19-13-7-9-17(22)14(10-13)16(21)8-6-12-4-2-3-5-15(12)18/h2-10,22H,1H3,(H,19,20)/b8-6+
InChIKeyPYLJIOJOOIPYTI-SOFGYWHQSA-N
MW299.30 g/mol
LogP3.39
Rot. Bonds4

About N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide

N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide (PubChem CID 39735035) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide
PubChem CID39735035
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC NameN-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccccc2F)c1
InChIInChI=1S/C17H14FNO3/c1-11(20)19-13-7-9-17(22)14(10-13)16(21)8-6-12-4-2-3-5-15(12)18/h2-10,22H,1H3,(H,19,20)/b8-6+
InChIKeyPYLJIOJOOIPYTI-SOFGYWHQSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 39735032
(E)-3-(2-fluorophenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 169450958
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 71821316
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
5-acetamido-2-fluoro-N-(2-hydroxyphenyl)benzamide
CID 60571237

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide (CID 39735035) is N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccccc2F)c1.
What is the InChIKey of N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide?
The InChIKey is PYLJIOJOOIPYTI-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-11(20)19-13-7-9-17(22)14(10-13)16(21)8-6-12-4-2-3-5-15(12)18/h2-10,22H,1H3,(H,19,20)/b8-6+.
What are the key properties of N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide?
N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide has a molecular weight of 299.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 39735035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).