1-(4-amino-2,5-dichlorophenyl)ethanone

C8H7Cl2NO — CID 53402802

IUPAC1-(4-amino-2,5-dichlorophenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,11H2,1H3
InChIKeyOUBPURNDWJMCRU-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.78
Rot. Bonds1

About 1-(4-amino-2,5-dichlorophenyl)ethanone

1-(4-amino-2,5-dichlorophenyl)ethanone (PubChem CID 53402802) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 1-(4-amino-2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,5-dichlorophenyl)ethanone
PubChem CID53402802
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name1-(4-amino-2,5-dichlorophenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,11H2,1H3
InChIKeyOUBPURNDWJMCRU-UHFFFAOYSA-N
XLogP2.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.78
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-(4-amino-2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-amino-2,5-dichlorophenyl)ethanone (CID 53402802) is 1-(4-amino-2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-amino-2,5-dichlorophenyl)ethanone is CC(=O)c1cc(Cl)c(N)cc1Cl.
What is the InChIKey of 1-(4-amino-2,5-dichlorophenyl)ethanone?
The InChIKey is OUBPURNDWJMCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,11H2,1H3.
What are the key properties of 1-(4-amino-2,5-dichlorophenyl)ethanone?
1-(4-amino-2,5-dichlorophenyl)ethanone has a molecular weight of 204.06 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 53402802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).