2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide

C10H12Br2N2O2 — CID 103602849

IUPAC2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H12Br2N2O2/c1-13-9(15)5-14-4-6-2-7(11)10(16)8(12)3-6/h2-3,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyUSVQANPHOPRNNB-UHFFFAOYSA-N
MW352.03 g/mol
LogP1.75
Rot. Bonds4

About 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide

2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide (PubChem CID 103602849) has the molecular formula C10H12Br2N2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide
PubChem CID103602849
Molecular FormulaC10H12Br2N2O2
Molecular Weight352.03 g/mol
Exact Mass349.93
IUPAC Name2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H12Br2N2O2/c1-13-9(15)5-14-4-6-2-7(11)10(16)8(12)3-6/h2-3,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyUSVQANPHOPRNNB-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
CID 102831548
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 107740789
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
2,6-dibromo-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 107740696
2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
CID 113224538
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
CID 60657940
2-[(3-fluoro-5-nitrophenyl)methylamino]-N-methylacetamide
CID 112646650
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide (CID 103602849) is 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide is CNC(=O)CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide?
The InChIKey is USVQANPHOPRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2/c1-13-9(15)5-14-4-6-2-7(11)10(16)8(12)3-6/h2-3,14,16H,4-5H2,1H3,(H,13,15).
What are the key properties of 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide?
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide has a molecular weight of 352.03 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 103602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).