2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide

C15H15BrN2O3 — CID 61390811

IUPAC2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cccc(Br)c2O)cc1
InChIInChI=1S/C15H15BrN2O3/c16-13-3-1-2-10(15(13)20)8-18-11-4-6-12(7-5-11)21-9-14(17)19/h1-7,18,20H,8-9H2,(H2,17,19)
InChIKeyQYIZDKJFJXJOAB-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide

2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide (PubChem CID 61390811) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
PubChem CID61390811
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cccc(Br)c2O)cc1
InChIInChI=1S/C15H15BrN2O3/c16-13-3-1-2-10(15(13)20)8-18-11-4-6-12(7-5-11)21-9-14(17)19/h1-7,18,20H,8-9H2,(H2,17,19)
InChIKeyQYIZDKJFJXJOAB-UHFFFAOYSA-N
XLogP2.63
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221
2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
CID 61317866
2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
CID 112673065
methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
methyl 2-[4-[(2-bromophenyl)methylamino]phenoxy]acetate
CID 43676822
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
CID 115761971
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
CID 103347536
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide (CID 61390811) is 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide is NC(=O)COc1ccc(NCc2cccc(Br)c2O)cc1.
What is the InChIKey of 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide?
The InChIKey is QYIZDKJFJXJOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-13-3-1-2-10(15(13)20)8-18-11-4-6-12(7-5-11)21-9-14(17)19/h1-7,18,20H,8-9H2,(H2,17,19).
What are the key properties of 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide?
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide has a molecular weight of 351.20 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 61390811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).