2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one

C9H10Cl2N2O2 — CID 87577386

IUPAC2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one
SMILESCC(N)C(=O)c1cccc(O)c1N(Cl)Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(12)9(15)6-3-2-4-7(14)8(6)13(10)11/h2-5,14H,12H2,1H3
InChIKeySQUXZTIHDKLROI-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one

2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one (PubChem CID 87577386) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one
PubChem CID87577386
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one
SMILESCC(N)C(=O)c1cccc(O)c1N(Cl)Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(12)9(15)6-3-2-4-7(14)8(6)13(10)11/h2-5,14H,12H2,1H3
InChIKeySQUXZTIHDKLROI-UHFFFAOYSA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
CID 84679562
2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
CID 84668702
2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
CID 84666194
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
CID 82613244
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one
CID 84690207
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one (CID 87577386) is 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one is CC(N)C(=O)c1cccc(O)c1N(Cl)Cl.
What is the InChIKey of 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one?
The InChIKey is SQUXZTIHDKLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5(12)9(15)6-3-2-4-7(14)8(6)13(10)11/h2-5,14H,12H2,1H3.
What are the key properties of 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one?
2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one has a molecular weight of 249.10 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(dichloroamino)-3-hydroxyphenyl]propan-1-one is sourced from PubChem (CID 87577386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).