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

C17H14FNO3 — CID 52921212

IUPAC2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H14FNO3/c18-14-3-1-2-12(10-14)4-9-16(20)13-5-7-15(8-6-13)22-11-17(19)21/h1-10H,11H2,(H2,19,21)/b9-4+
InChIKeyOXNUZSGEUWVQPB-RUDMXATFSA-N
MW299.30 g/mol
LogP2.59
Rot. Bonds6

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

2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 52921212) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID52921212
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H14FNO3/c18-14-3-1-2-12(10-14)4-9-16(20)13-5-7-15(8-6-13)22-11-17(19)21/h1-10H,11H2,(H2,19,21)/b9-4+
InChIKeyOXNUZSGEUWVQPB-RUDMXATFSA-N
XLogP2.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830407
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921216
1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 131632623
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
methyl 2-[4-[(E)-3-(3-bromophenyl)prop-2-enoyl]phenoxy]acetate
CID 60601094
2-[4-[3-(3-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 4988069
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 134031178
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 4149722
(E)-3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6021810
2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide
CID 23732371

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide (CID 52921212) is 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide is NC(=O)COc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is OXNUZSGEUWVQPB-RUDMXATFSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-3-1-2-12(10-14)4-9-16(20)13-5-7-15(8-6-13)22-11-17(19)21/h1-10H,11H2,(H2,19,21)/b9-4+.
What are the key properties of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide?
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 299.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 52921212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).