2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide

C13H16FNO2 — CID 64853364

IUPAC2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(C)ccc1F
InChIInChI=1S/C13H16FNO2/c1-4-7-15-13(16)10(3)17-12-8-9(2)5-6-11(12)14/h4-6,8,10H,1,7H2,2-3H3,(H,15,16)
InChIKeyQEBYWDCVSUFFCI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide

2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 64853364) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
PubChem CID64853364
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(C)ccc1F
InChIInChI=1S/C13H16FNO2/c1-4-7-15-13(16)10(3)17-12-8-9(2)5-6-11(12)14/h4-6,8,10H,1,7H2,2-3H3,(H,15,16)
InChIKeyQEBYWDCVSUFFCI-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
5-chloro-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82921733
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82915467
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
CID 107716763
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
1-[2-(2,4-difluorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17373407

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide (CID 64853364) is 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is QEBYWDCVSUFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-4-7-15-13(16)10(3)17-12-8-9(2)5-6-11(12)14/h4-6,8,10H,1,7H2,2-3H3,(H,15,16).
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide?
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 237.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 64853364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).