3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide

C15H14ClIN2O2 — CID 107624112

IUPAC3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
SMILESNc1cccc(OCCC(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C15H14ClIN2O2/c16-10-4-5-14(13(17)8-10)19-15(20)6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyRUTXUOZJNZHDHW-UHFFFAOYSA-N
MW416.65 g/mol
LogP3.93
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide

3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide (PubChem CID 107624112) has the molecular formula C15H14ClIN2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
PubChem CID107624112
Molecular FormulaC15H14ClIN2O2
Molecular Weight416.65 g/mol
Exact Mass415.98
IUPAC Name3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
SMILESNc1cccc(OCCC(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C15H14ClIN2O2/c16-10-4-5-14(13(17)8-10)19-15(20)6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyRUTXUOZJNZHDHW-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
CID 66351848
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide (CID 107624112) is 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide is Nc1cccc(OCCC(=O)Nc2ccc(Cl)cc2I)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide?
The InChIKey is RUTXUOZJNZHDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O2/c16-10-4-5-14(13(17)8-10)19-15(20)6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide?
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide has a molecular weight of 416.65 g/mol, XLogP of 3.93, 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-(4-chloro-2-iodophenyl)propanamide is sourced from PubChem (CID 107624112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).