2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide

C13H16Cl2N2O2 — CID 60890212

IUPAC2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C13H16Cl2N2O2/c1-3-4-17-13(18)8(2)19-12-9(7-16)5-10(14)6-11(12)15/h3,5-6,8H,1,4,7,16H2,2H3,(H,17,18)
InChIKeyCWVXYILMHKDBEH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide

2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide (PubChem CID 60890212) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
PubChem CID60890212
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C13H16Cl2N2O2/c1-3-4-17-13(18)8(2)19-12-9(7-16)5-10(14)6-11(12)15/h3,5-6,8H,1,4,7,16H2,2H3,(H,17,18)
InChIKeyCWVXYILMHKDBEH-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 104666115
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82912462
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
CID 107738304
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide (CID 60890212) is 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide?
The InChIKey is CWVXYILMHKDBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-3-4-17-13(18)8(2)19-12-9(7-16)5-10(14)6-11(12)15/h3,5-6,8H,1,4,7,16H2,2H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide?
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide has a molecular weight of 303.19 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 60890212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).