2-(2,4-dibromo-5-methoxyanilino)butanamide

C11H14Br2N2O2 — CID 103413422

IUPAC2-(2,4-dibromo-5-methoxyanilino)butanamide
SMILESCCC(Nc1cc(OC)c(Br)cc1Br)C(N)=O
InChIInChI=1S/C11H14Br2N2O2/c1-3-8(11(14)16)15-9-5-10(17-2)7(13)4-6(9)12/h4-5,8,15H,3H2,1-2H3,(H2,14,16)
InChIKeyGDLFXLCYDUNRIJ-UHFFFAOYSA-N
MW366.05 g/mol
LogP2.90
Rot. Bonds5

About 2-(2,4-dibromo-5-methoxyanilino)butanamide

2-(2,4-dibromo-5-methoxyanilino)butanamide (PubChem CID 103413422) has the molecular formula C11H14Br2N2O2 and a molecular weight of 366.05 g/mol. Its IUPAC name is 2-(2,4-dibromo-5-methoxyanilino)butanamide.

Molecular Properties

Compound Name2-(2,4-dibromo-5-methoxyanilino)butanamide
PubChem CID103413422
Molecular FormulaC11H14Br2N2O2
Molecular Weight366.05 g/mol
Exact Mass363.94
IUPAC Name2-(2,4-dibromo-5-methoxyanilino)butanamide
SMILESCCC(Nc1cc(OC)c(Br)cc1Br)C(N)=O
InChIInChI=1S/C11H14Br2N2O2/c1-3-8(11(14)16)15-9-5-10(17-2)7(13)4-6(9)12/h4-5,8,15H,3H2,1-2H3,(H2,14,16)
InChIKeyGDLFXLCYDUNRIJ-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-dibromo-5-methoxyanilino)butanoate
CID 103412141
2,4-dibromo-5-methoxy-N-pentan-3-ylaniline
CID 103411897
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
(2S)-2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 103416237
2-(4-chloro-2-methoxy-5-methylanilino)butanamide
CID 55133159
3-(2,4-dibromo-5-methoxyanilino)-2-methylpropanoic acid
CID 103412855
2,4-dibromo-5-methoxy-N-pent-1-yn-3-ylaniline
CID 103413347
2-(2,4-dibromo-5-methoxyanilino)butanenitrile
CID 103412775
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
2-(5-methoxy-2-methylanilino)butanamide
CID 167770796
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
CID 103412392

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-5-methoxyanilino)butanamide?
The IUPAC name of 2-(2,4-dibromo-5-methoxyanilino)butanamide (CID 103413422) is 2-(2,4-dibromo-5-methoxyanilino)butanamide.
What is the SMILES notation for 2-(2,4-dibromo-5-methoxyanilino)butanamide?
The canonical SMILES for 2-(2,4-dibromo-5-methoxyanilino)butanamide is CCC(Nc1cc(OC)c(Br)cc1Br)C(N)=O.
What is the InChIKey of 2-(2,4-dibromo-5-methoxyanilino)butanamide?
The InChIKey is GDLFXLCYDUNRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2/c1-3-8(11(14)16)15-9-5-10(17-2)7(13)4-6(9)12/h4-5,8,15H,3H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2,4-dibromo-5-methoxyanilino)butanamide?
2-(2,4-dibromo-5-methoxyanilino)butanamide has a molecular weight of 366.05 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-5-methoxyanilino)butanamide is sourced from PubChem (CID 103413422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).