1-[2-(chloroamino)-3-methylphenyl]ethanone

C9H10ClNO — CID 141131299

IUPAC1-[2-(chloroamino)-3-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C)c1NCl
InChIInChI=1S/C9H10ClNO/c1-6-4-3-5-8(7(2)12)9(6)11-10/h3-5,11H,1-2H3
InChIKeyCHTNYHDLVLPWAI-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.76
Rot. Bonds2

About 1-[2-(chloroamino)-3-methylphenyl]ethanone

1-[2-(chloroamino)-3-methylphenyl]ethanone (PubChem CID 141131299) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-[2-(chloroamino)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(chloroamino)-3-methylphenyl]ethanone
PubChem CID141131299
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-[2-(chloroamino)-3-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C)c1NCl
InChIInChI=1S/C9H10ClNO/c1-6-4-3-5-8(7(2)12)9(6)11-10/h3-5,11H,1-2H3
InChIKeyCHTNYHDLVLPWAI-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloroamino)-3-methylphenyl]ethanone?
The IUPAC name of 1-[2-(chloroamino)-3-methylphenyl]ethanone (CID 141131299) is 1-[2-(chloroamino)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(chloroamino)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(chloroamino)-3-methylphenyl]ethanone is CC(=O)c1cccc(C)c1NCl.
What is the InChIKey of 1-[2-(chloroamino)-3-methylphenyl]ethanone?
The InChIKey is CHTNYHDLVLPWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-4-3-5-8(7(2)12)9(6)11-10/h3-5,11H,1-2H3.
What are the key properties of 1-[2-(chloroamino)-3-methylphenyl]ethanone?
1-[2-(chloroamino)-3-methylphenyl]ethanone has a molecular weight of 183.64 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloroamino)-3-methylphenyl]ethanone is sourced from PubChem (CID 141131299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).