3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide

C15H14Cl2N2O — CID 28713241

IUPAC3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c16-12-2-1-3-13(17)15(12)19-14(20)9-6-10-4-7-11(18)8-5-10/h1-5,7-8H,6,9,18H2,(H,19,20)
InChIKeyVFQQUJBLJPOCLA-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.15
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide

3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 28713241) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
PubChem CID28713241
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c16-12-2-1-3-13(17)15(12)19-14(20)9-6-10-4-7-11(18)8-5-10/h1-5,7-8H,6,9,18H2,(H,19,20)
InChIKeyVFQQUJBLJPOCLA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2,6-dichlorophenyl)acetamide
CID 28711873
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide
CID 62084084
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
2-(4-aminophenyl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66253342
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide (CID 28713241) is 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide is Nc1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is VFQQUJBLJPOCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-2-1-3-13(17)15(12)19-14(20)9-6-10-4-7-11(18)8-5-10/h1-5,7-8H,6,9,18H2,(H,19,20).
What are the key properties of 3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide?
3-(4-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-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 28713241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).