2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide

C15H14Br2N2O2 — CID 107741251

IUPAC2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
SMILESNCc1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c16-12-6-10(8-18)7-13(17)15(12)21-9-14(20)19-11-4-2-1-3-5-11/h1-7H,8-9,18H2,(H,19,20)
InChIKeyUZEYMHBKDWCBBB-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide

2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide (PubChem CID 107741251) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
PubChem CID107741251
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
SMILESNCc1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c16-12-6-10(8-18)7-13(17)15(12)21-9-14(20)19-11-4-2-1-3-5-11/h1-7H,8-9,18H2,(H,19,20)
InChIKeyUZEYMHBKDWCBBB-UHFFFAOYSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
CID 4770117
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539473
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126262765
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
CID 61389716
2-[2,6-dibromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-phenylacetamide
CID 126266792

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide (CID 107741251) is 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide is NCc1cc(Br)c(OCC(=O)Nc2ccccc2)c(Br)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
The InChIKey is UZEYMHBKDWCBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-12-6-10(8-18)7-13(17)15(12)21-9-14(20)19-11-4-2-1-3-5-11/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide has a molecular weight of 414.10 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide is sourced from PubChem (CID 107741251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).