N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide

C15H15BrN2O2 — CID 43376432

IUPACN-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H15BrN2O2/c1-18(13-6-4-12(17)5-7-13)15(19)10-20-14-8-2-11(16)3-9-14/h2-9H,10,17H2,1H3
InChIKeyJIXBSTPWXCCGJZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.07
Rot. Bonds4

About N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide

N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide (PubChem CID 43376432) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
PubChem CID43376432
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H15BrN2O2/c1-18(13-6-4-12(17)5-7-13)15(19)10-20-14-8-2-11(16)3-9-14/h2-9H,10,17H2,1H3
InChIKeyJIXBSTPWXCCGJZ-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide 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

N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
CID 83231324
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 60537657
N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 63652191

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide (CID 43376432) is N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide is CN(C(=O)COc1ccc(Br)cc1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide?
The InChIKey is JIXBSTPWXCCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18(13-6-4-12(17)5-7-13)15(19)10-20-14-8-2-11(16)3-9-14/h2-9H,10,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide?
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide is sourced from PubChem (CID 43376432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).