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

C13H18Br2N2O2 — CID 43224145

IUPAC2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1c(Br)cc(Br)cc1CNCC(=O)NC(C)C
InChIInChI=1S/C13H18Br2N2O2/c1-8(2)17-12(18)7-16-6-9-4-10(14)5-11(15)13(9)19-3/h4-5,8,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyMVBGMNFGEOBQCI-UHFFFAOYSA-N
MW394.11 g/mol
LogP2.83
Rot. Bonds6

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

2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 43224145) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
PubChem CID43224145
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1c(Br)cc(Br)cc1CNCC(=O)NC(C)C
InChIInChI=1S/C13H18Br2N2O2/c1-8(2)17-12(18)7-16-6-9-4-10(14)5-11(15)13(9)19-3/h4-5,8,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyMVBGMNFGEOBQCI-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]acetate
CID 60811348
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224154
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615294
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
CID 78977647
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789767
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide (CID 43224145) is 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide is COc1c(Br)cc(Br)cc1CNCC(=O)NC(C)C.
What is the InChIKey of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is MVBGMNFGEOBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-8(2)17-12(18)7-16-6-9-4-10(14)5-11(15)13(9)19-3/h4-5,8,16H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide?
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 394.11 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 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-propan-2-ylacetamide is sourced from PubChem (CID 43224145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).