3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide

C12H16Br2N2O2 — CID 103412756

IUPAC3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-3-15-12(17)4-5-16-10-7-11(18-2)9(14)6-8(10)13/h6-7,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyGNTGNTSJYVMIFO-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.16
Rot. Bonds6

About 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide

3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide (PubChem CID 103412756) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
PubChem CID103412756
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC Name3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-3-15-12(17)4-5-16-10-7-11(18-2)9(14)6-8(10)13/h6-7,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyGNTGNTSJYVMIFO-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

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Related Compounds

N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
CID 103414030
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 103412672
2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364
3-(2,4-dibromo-5-methoxyanilino)-2-methylpropanoic acid
CID 103412855
3-(2,4-dibromo-5-methoxyanilino)propanenitrile
CID 103412664
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
CID 103412392
3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
CID 62324200

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide?
The IUPAC name of 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide (CID 103412756) is 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide?
The canonical SMILES for 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide is CCNC(=O)CCNc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide?
The InChIKey is GNTGNTSJYVMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-3-15-12(17)4-5-16-10-7-11(18-2)9(14)6-8(10)13/h6-7,16H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide?
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide 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 3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide is sourced from PubChem (CID 103412756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).