1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one

C12H15Cl2NO — CID 107311300

IUPAC1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one
SMILESCC(C)NCC(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8(2)15-7-10(16)6-9-4-3-5-11(13)12(9)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyZORNJCZXQQYSNO-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.10
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one

1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one (PubChem CID 107311300) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one
PubChem CID107311300
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one
SMILESCC(C)NCC(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8(2)15-7-10(16)6-9-4-3-5-11(13)12(9)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyZORNJCZXQQYSNO-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 106871192
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
1-butan-2-ylsulfanyl-3-(2,3-dichlorophenyl)propan-2-one
CID 107307896
(2S)-2-amino-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide
CID 57022701
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one
CID 107311478
1-(2,3-dichlorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 107311363
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687
3-bromo-4-(2,3-dichlorophenyl)butan-2-one
CID 62394098

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one (CID 107311300) is 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one is CC(C)NCC(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one?
The InChIKey is ZORNJCZXQQYSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(2)15-7-10(16)6-9-4-3-5-11(13)12(9)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one?
1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one has a molecular weight of 260.16 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 107311300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).