1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one

C9H9Cl2NO — CID 24894470

IUPAC1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
SMILESCC(Cl)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C9H9Cl2NO/c1-5(10)9(13)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3
InChIKeyOSPJYOLHJLNBED-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one

1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one (PubChem CID 24894470) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
PubChem CID24894470
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
SMILESCC(Cl)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C9H9Cl2NO/c1-5(10)9(13)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3
InChIKeyOSPJYOLHJLNBED-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-(3-amino-2-bromophenyl)-2-chloropropan-1-one
CID 118826655
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CID 68799362
2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134617645
2-(2-amino-3-chlorobenzoyl)oxypropanoic acid
CID 115547818
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-chlorobenzoate
CID 115547825
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
(2-amino-3-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210813
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one?
The IUPAC name of 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one (CID 24894470) is 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one.
What is the SMILES notation for 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one?
The canonical SMILES for 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one is CC(Cl)C(=O)c1cccc(Cl)c1N.
What is the InChIKey of 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one?
The InChIKey is OSPJYOLHJLNBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-5(10)9(13)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3.
What are the key properties of 1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one?
1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one has a molecular weight of 218.08 g/mol, XLogP of 2.73, 2 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)-2-chloropropan-1-one is sourced from PubChem (CID 24894470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).