N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide

C11H11ClFNO2 — CID 23274402

IUPACN-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cc(NC(C)=O)c(F)cc1Cl
InChIInChI=1S/C11H11ClFNO2/c1-3-4-16-11-6-10(14-7(2)15)9(13)5-8(11)12/h3,5-6H,1,4H2,2H3,(H,14,15)
InChIKeyKLSWRSWDYXRCKY-UHFFFAOYSA-N
MW243.66 g/mol
LogP3.00
Rot. Bonds4

About N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide

N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide (PubChem CID 23274402) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide
PubChem CID23274402
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC NameN-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cc(NC(C)=O)c(F)cc1Cl
InChIInChI=1S/C11H11ClFNO2/c1-3-4-16-11-6-10(14-7(2)15)9(13)5-8(11)12/h3,5-6H,1,4H2,2H3,(H,14,15)
InChIKeyKLSWRSWDYXRCKY-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide?
The IUPAC name of N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide (CID 23274402) is N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide is C=CCOc1cc(NC(C)=O)c(F)cc1Cl.
What is the InChIKey of N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide?
The InChIKey is KLSWRSWDYXRCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c1-3-4-16-11-6-10(14-7(2)15)9(13)5-8(11)12/h3,5-6H,1,4H2,2H3,(H,14,15).
What are the key properties of N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide?
N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide has a molecular weight of 243.66 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 23274402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).