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

C15H14Cl2N2O — CID 28713636

IUPAC3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-12-5-2-6-13(15(12)17)19-14(20)8-7-10-3-1-4-11(18)9-10/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyAZFOOEJXJDRUNS-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.15
Rot. Bonds4

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

3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 28713636) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
PubChem CID28713636
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-12-5-2-6-13(15(12)17)19-14(20)8-7-10-3-1-4-11(18)9-10/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyAZFOOEJXJDRUNS-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

2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 28713525
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N-(2,3-dichlorophenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3412271
3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
CID 102852363

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide (CID 28713636) is 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide is Nc1cccc(CCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is AZFOOEJXJDRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-12-5-2-6-13(15(12)17)19-14(20)8-7-10-3-1-4-11(18)9-10/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide?
3-(3-aminophenyl)-N-(2,3-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-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 28713636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).