3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide

C15H14Cl2N2O — CID 28714106

IUPAC3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-11-5-3-6-12(17)15(11)19-14(20)9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyQNWKGDQWFZGDSO-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.15
Rot. Bonds4

About 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide

3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 28714106) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
PubChem CID28714106
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-11-5-3-6-12(17)15(11)19-14(20)9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyQNWKGDQWFZGDSO-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide
CID 62084084
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide (CID 28714106) is 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide is Nc1ccccc1CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is QNWKGDQWFZGDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-11-5-3-6-12(17)15(11)19-14(20)9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 309.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 28714106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).