N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide

C17H17FN2O3 — CID 144549739

IUPACN-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide
SMILESCOc1cc(Oc2ccc(/C=C/CNC(C)=O)cn2)ccc1F
InChIInChI=1S/C17H17FN2O3/c1-12(21)19-9-3-4-13-5-8-17(20-11-13)23-14-6-7-15(18)16(10-14)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,21)/b4-3+
InChIKeyYUJWMYUJLWKPMU-ONEGZZNKSA-N
MW316.33 g/mol
LogP3.17
Rot. Bonds6

About N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide

N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide (PubChem CID 144549739) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide
PubChem CID144549739
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide
SMILESCOc1cc(Oc2ccc(/C=C/CNC(C)=O)cn2)ccc1F
InChIInChI=1S/C17H17FN2O3/c1-12(21)19-9-3-4-13-5-8-17(20-11-13)23-14-6-7-15(18)16(10-14)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,21)/b4-3+
InChIKeyYUJWMYUJLWKPMU-ONEGZZNKSA-N
XLogP3.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane
CID 144549677
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
S-[3-(4-fluoro-3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457081
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide?
The IUPAC name of N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide (CID 144549739) is N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide is COc1cc(Oc2ccc(/C=C/CNC(C)=O)cn2)ccc1F.
What is the InChIKey of N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide?
The InChIKey is YUJWMYUJLWKPMU-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12(21)19-9-3-4-13-5-8-17(20-11-13)23-14-6-7-15(18)16(10-14)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,21)/b4-3+.
What are the key properties of N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide?
N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide has a molecular weight of 316.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide is sourced from PubChem (CID 144549739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).