2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide

C11H15BrN2O2 — CID 103104513

IUPAC2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-2-14(7-10(13)15)6-8-4-3-5-9(12)11(8)16/h3-5,16H,2,6-7H2,1H3,(H2,13,15)
InChIKeySCNRMEJUSYKKRQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.46
Rot. Bonds5

About 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide

2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide (PubChem CID 103104513) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
PubChem CID103104513
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-2-14(7-10(13)15)6-8-4-3-5-9(12)11(8)16/h3-5,16H,2,6-7H2,1H3,(H2,13,15)
InChIKeySCNRMEJUSYKKRQ-UHFFFAOYSA-N
XLogP1.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978692
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982350
2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide
CID 103101438
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368
2-[[3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 5242005
2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
CID 82978366

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide (CID 103104513) is 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide is CCN(CC(N)=O)Cc1cccc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is SCNRMEJUSYKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-14(7-10(13)15)6-8-4-3-5-9(12)11(8)16/h3-5,16H,2,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 287.16 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 103104513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).