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

C15H15BrN2O2 — CID 81499893

IUPAC2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C15H15BrN2O2/c16-12-6-3-7-13(15(12)20)18-14(19)8-10-4-1-2-5-11(10)9-17/h1-7,20H,8-9,17H2,(H,18,19)
InChIKeyVOALKENQFSTJJW-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.79
Rot. Bonds4

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

2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide (PubChem CID 81499893) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
PubChem CID81499893
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C15H15BrN2O2/c16-12-6-3-7-13(15(12)20)18-14(19)8-10-4-1-2-5-11(10)9-17/h1-7,20H,8-9,17H2,(H,18,19)
InChIKeyVOALKENQFSTJJW-UHFFFAOYSA-N
XLogP2.79
TPSA75.35 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 ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693
3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
CID 107273305
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
(3S)-3-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-5-methylhexanamide
CID 81496704
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
CID 81496462
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
2-[2-(aminomethyl)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 81318026
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide (CID 81499893) is 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide is NCc1ccccc1CC(=O)Nc1cccc(Br)c1O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide?
The InChIKey is VOALKENQFSTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-6-3-7-13(15(12)20)18-14(19)8-10-4-1-2-5-11(10)9-17/h1-7,20H,8-9,17H2,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide has a molecular weight of 335.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 81499893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).