N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide

C16H17BrN2O2 — CID 107283407

IUPACN-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
SMILESCc1ccc(Br)cc1OCC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-3-4-12(17)9-15(11)21-10-16(20)19(2)14-7-5-13(18)6-8-14/h3-9H,10,18H2,1-2H3
InChIKeyJOWZTMOHRUALQI-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.38
Rot. Bonds4

About N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide

N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide (PubChem CID 107283407) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
PubChem CID107283407
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
SMILESCc1ccc(Br)cc1OCC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-3-4-12(17)9-15(11)21-10-16(20)19(2)14-7-5-13(18)6-8-14/h3-9H,10,18H2,1-2H3
InChIKeyJOWZTMOHRUALQI-UHFFFAOYSA-N
XLogP3.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.38
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'}

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Related Compounds

N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
CID 83231324
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
2-(4-bromo-2,5-dimethylphenoxy)-N-methyl-N-phenylacetamide
CID 3944962
N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 63652191
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
CID 24569426
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 107285034
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide (CID 107283407) is N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide is Cc1ccc(Br)cc1OCC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide?
The InChIKey is JOWZTMOHRUALQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-3-4-12(17)9-15(11)21-10-16(20)19(2)14-7-5-13(18)6-8-14/h3-9H,10,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide?
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide has a molecular weight of 349.23 g/mol, XLogP of 3.38, 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-(5-bromo-2-methylphenoxy)-N-methylacetamide is sourced from PubChem (CID 107283407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).