3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide

C15H14Cl2N2O2 — CID 61095310

IUPAC3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
SMILESNc1cccc(OCCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-12-5-2-6-13(15(12)17)19-14(20)7-8-21-11-4-1-3-10(18)9-11/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyYEXZMADQBZMSHH-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.98
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide

3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 61095310) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
PubChem CID61095310
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
SMILESNc1cccc(OCCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-12-5-2-6-13(15(12)17)19-14(20)7-8-21-11-4-1-3-10(18)9-11/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyYEXZMADQBZMSHH-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
CID 107624112
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
N-(2,3-dichlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 55581596
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193
2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
CID 66351848
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide (CID 61095310) is 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide is Nc1cccc(OCCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is YEXZMADQBZMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-5-2-6-13(15(12)17)19-14(20)7-8-21-11-4-1-3-10(18)9-11/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide?
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 325.19 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 61095310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).