2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide

C15H22Br2N2O2 — CID 43789767

IUPAC2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C15H22Br2N2O2/c1-5-19(6-2)15(20)10(3)18-9-11-7-12(16)8-13(17)14(11)21-4/h7-8,10,18H,5-6,9H2,1-4H3
InChIKeyXMLHUAZSIGJSEK-UHFFFAOYSA-N
MW422.16 g/mol
LogP3.57
Rot. Bonds7

About 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide

2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 43789767) has the molecular formula C15H22Br2N2O2 and a molecular weight of 422.16 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID43789767
Molecular FormulaC15H22Br2N2O2
Molecular Weight422.16 g/mol
Exact Mass420.00
IUPAC Name2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C15H22Br2N2O2/c1-5-19(6-2)15(20)10(3)18-9-11-7-12(16)8-13(17)14(11)21-4/h7-8,10,18H,5-6,9H2,1-4H3
InChIKeyXMLHUAZSIGJSEK-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide (CID 43789767) is 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCc1cc(Br)cc(Br)c1OC.
What is the InChIKey of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is XMLHUAZSIGJSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O2/c1-5-19(6-2)15(20)10(3)18-9-11-7-12(16)8-13(17)14(11)21-4/h7-8,10,18H,5-6,9H2,1-4H3.
What are the key properties of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 422.16 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 43789767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).