1-(2-amino-3-chlorophenyl)ethanone

C8H8ClNO — CID 23380945

IUPAC1-(2-amino-3-chlorophenyl)ethanone
SMILESCC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C8H8ClNO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,10H2,1H3
InChIKeyRVYRSQRMEZKASP-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.12
Rot. Bonds1

About 1-(2-amino-3-chlorophenyl)ethanone

1-(2-amino-3-chlorophenyl)ethanone (PubChem CID 23380945) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-(2-amino-3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-chlorophenyl)ethanone
PubChem CID23380945
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-(2-amino-3-chlorophenyl)ethanone
SMILESCC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C8H8ClNO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,10H2,1H3
InChIKeyRVYRSQRMEZKASP-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.12
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-(2-amino-3-chlorophenyl)ethanone?
The IUPAC name of 1-(2-amino-3-chlorophenyl)ethanone (CID 23380945) is 1-(2-amino-3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-chlorophenyl)ethanone is CC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chlorophenyl)ethanone?
The InChIKey is RVYRSQRMEZKASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,10H2,1H3.
What are the key properties of 1-(2-amino-3-chlorophenyl)ethanone?
1-(2-amino-3-chlorophenyl)ethanone has a molecular weight of 169.61 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chlorophenyl)ethanone is sourced from PubChem (CID 23380945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).