N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide

C12H16Br2N2O2 — CID 103414030

IUPACN-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-3-15-5-4-12(17)16-10-7-11(18-2)9(14)6-8(10)13/h6-7,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyGRUZDEAQWVUOPI-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.16
Rot. Bonds6

About N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide

N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide (PubChem CID 103414030) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
PubChem CID103414030
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-3-15-5-4-12(17)16-10-7-11(18-2)9(14)6-8(10)13/h6-7,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyGRUZDEAQWVUOPI-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
CID 103412392
N-(2,4-dibromo-5-methoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107037069
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 5147520
methyl 2-[3-(ethylamino)propanoylamino]-4-fluorobenzoate
CID 55121672
(2S)-2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 103416237

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide (CID 103414030) is N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1cc(OC)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide?
The InChIKey is GRUZDEAQWVUOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-3-15-5-4-12(17)16-10-7-11(18-2)9(14)6-8(10)13/h6-7,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide?
N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide has a molecular weight of 380.08 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 103414030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).