N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide

C15H15BrN2O2 — CID 61390209

IUPACN-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cccc(Br)c2O)c1
InChIInChI=1S/C15H15BrN2O2/c1-10(19)18-13-6-3-5-12(8-13)17-9-11-4-2-7-14(16)15(11)20/h2-8,17,20H,9H2,1H3,(H,18,19)
InChIKeyKIXYORQKHXIREJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.73
Rot. Bonds4

About N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide

N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide (PubChem CID 61390209) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide
PubChem CID61390209
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cccc(Br)c2O)c1
InChIInChI=1S/C15H15BrN2O2/c1-10(19)18-13-6-3-5-12(8-13)17-9-11-4-2-7-14(16)15(11)20/h2-8,17,20H,9H2,1H3,(H,18,19)
InChIKeyKIXYORQKHXIREJ-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[(3-bromo-4-methylanilino)methyl]phenol
CID 63333631
methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
3-[(3-bromo-2-hydroxyphenyl)methylamino]benzonitrile
CID 61390106
2-bromo-6-[(3,5-difluoroanilino)methyl]phenol
CID 61389992
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
2-bromo-6-[[3-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 61391731
2-bromo-6-[[4-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 61390864
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide (CID 61390209) is N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2cccc(Br)c2O)c1.
What is the InChIKey of N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is KIXYORQKHXIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(19)18-13-6-3-5-12(8-13)17-9-11-4-2-7-14(16)15(11)20/h2-8,17,20H,9H2,1H3,(H,18,19).
What are the key properties of N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide?
N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 335.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 61390209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).