2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide

C13H14ClNO3 — CID 43324815

IUPAC2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C13H14ClNO3/c1-3-6-15-13(17)9(2)18-12-5-4-11(14)7-10(12)8-16/h3-5,7-9H,1,6H2,2H3,(H,15,17)
InChIKeyRREKHEBKKXXJBN-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.22
Rot. Bonds6

About 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide

2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 43324815) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
PubChem CID43324815
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C13H14ClNO3/c1-3-6-15-13(17)9(2)18-12-5-4-11(14)7-10(12)8-16/h3-5,7-9H,1,6H2,2H3,(H,15,17)
InChIKeyRREKHEBKKXXJBN-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.22
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-[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-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616994
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82911197
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
1-[2-(3-chlorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17371318

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide (CID 43324815) is 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(Cl)cc1C=O.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is RREKHEBKKXXJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-3-6-15-13(17)9(2)18-12-5-4-11(14)7-10(12)8-16/h3-5,7-9H,1,6H2,2H3,(H,15,17).
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide?
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 267.71 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43324815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).