2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide

C13H13Br2NO3 — CID 107738304

IUPAC2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C13H13Br2NO3/c1-3-4-16-13(18)8(2)19-12-10(14)5-9(7-17)6-11(12)15/h3,5-8H,1,4H2,2H3,(H,16,18)
InChIKeyRFORCPQOILAFMT-UHFFFAOYSA-N
MW391.06 g/mol
LogP3.09
Rot. Bonds6

About 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide

2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 107738304) has the molecular formula C13H13Br2NO3 and a molecular weight of 391.06 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
PubChem CID107738304
Molecular FormulaC13H13Br2NO3
Molecular Weight391.06 g/mol
Exact Mass388.93
IUPAC Name2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C13H13Br2NO3/c1-3-4-16-13(18)8(2)19-12-10(14)5-9(7-17)6-11(12)15/h3,5-8H,1,4H2,2H3,(H,16,18)
InChIKeyRFORCPQOILAFMT-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 53.09
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-(2,6-dibromo-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 107738224
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 115961104
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
CID 43627073
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
CID 43627072
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide (CID 107738304) is 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1c(Br)cc(C=O)cc1Br.
What is the InChIKey of 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is RFORCPQOILAFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3/c1-3-4-16-13(18)8(2)19-12-10(14)5-9(7-17)6-11(12)15/h3,5-8H,1,4H2,2H3,(H,16,18).
What are the key properties of 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide?
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 391.06 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 107738304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).