2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide

C13H14FNO3 — CID 112611593

IUPAC2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C13H14FNO3/c1-3-7-15-13(17)9(2)18-12-10(8-16)5-4-6-11(12)14/h3-6,8-9H,1,7H2,2H3,(H,15,17)
InChIKeyWTPSCKRDJKFFKJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.71
Rot. Bonds6

About 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide

2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 112611593) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
PubChem CID112611593
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C13H14FNO3/c1-3-7-15-13(17)9(2)18-12-10(8-16)5-4-6-11(12)14/h3-6,8-9H,1,7H2,2H3,(H,15,17)
InChIKeyWTPSCKRDJKFFKJ-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 115953395
2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
CID 115955801
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
CID 107738304
2-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide (CID 112611593) is 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1c(F)cccc1C=O.
What is the InChIKey of 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is WTPSCKRDJKFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-3-7-15-13(17)9(2)18-12-10(8-16)5-4-6-11(12)14/h3-6,8-9H,1,7H2,2H3,(H,15,17).
What are the key properties of 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide?
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 251.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 112611593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).