1-(6-amino-2,3-dichlorophenyl)propan-1-one

C9H9Cl2NO — CID 130018789

IUPAC1-(6-amino-2,3-dichlorophenyl)propan-1-one
SMILESCCC(=O)c1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO/c1-2-7(13)8-6(12)4-3-5(10)9(8)11/h3-4H,2,12H2,1H3
InChIKeyRZEKTTPGJCVALA-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.17
Rot. Bonds2

About 1-(6-amino-2,3-dichlorophenyl)propan-1-one

1-(6-amino-2,3-dichlorophenyl)propan-1-one (PubChem CID 130018789) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 1-(6-amino-2,3-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(6-amino-2,3-dichlorophenyl)propan-1-one
PubChem CID130018789
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name1-(6-amino-2,3-dichlorophenyl)propan-1-one
SMILESCCC(=O)c1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO/c1-2-7(13)8-6(12)4-3-5(10)9(8)11/h3-4H,2,12H2,1H3
InChIKeyRZEKTTPGJCVALA-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dichlorophenyl)propan-1-one?
The IUPAC name of 1-(6-amino-2,3-dichlorophenyl)propan-1-one (CID 130018789) is 1-(6-amino-2,3-dichlorophenyl)propan-1-one.
What is the SMILES notation for 1-(6-amino-2,3-dichlorophenyl)propan-1-one?
The canonical SMILES for 1-(6-amino-2,3-dichlorophenyl)propan-1-one is CCC(=O)c1c(N)ccc(Cl)c1Cl.
What is the InChIKey of 1-(6-amino-2,3-dichlorophenyl)propan-1-one?
The InChIKey is RZEKTTPGJCVALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-2-7(13)8-6(12)4-3-5(10)9(8)11/h3-4H,2,12H2,1H3.
What are the key properties of 1-(6-amino-2,3-dichlorophenyl)propan-1-one?
1-(6-amino-2,3-dichlorophenyl)propan-1-one has a molecular weight of 218.08 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dichlorophenyl)propan-1-one is sourced from PubChem (CID 130018789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).