3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide

C15H14BrClN2O2 — CID 81252231

IUPAC3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
SMILESNc1ccc(OCCC(=O)Nc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H14BrClN2O2/c16-13-9-10(17)1-6-14(13)19-15(20)7-8-21-12-4-2-11(18)3-5-12/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyUWTLTLURLTZJQG-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.09
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide

3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide (PubChem CID 81252231) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
PubChem CID81252231
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
SMILESNc1ccc(OCCC(=O)Nc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H14BrClN2O2/c16-13-9-10(17)1-6-14(13)19-15(20)7-8-21-12-4-2-11(18)3-5-12/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyUWTLTLURLTZJQG-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.09
H-Bond Donors ≤ 52
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

3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
CID 107623924
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
CID 107624112
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide (CID 81252231) is 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide is Nc1ccc(OCCC(=O)Nc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide?
The InChIKey is UWTLTLURLTZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-13-9-10(17)1-6-14(13)19-15(20)7-8-21-12-4-2-11(18)3-5-12/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide?
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide has a molecular weight of 369.65 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide is sourced from PubChem (CID 81252231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).