2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one

C12H13Cl2NO — CID 82100516

IUPAC2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(NC1CC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-7(15-9-3-4-9)12(16)10-5-2-8(13)6-11(10)14/h2,5-7,9,15H,3-4H2,1H3
InChIKeyXQSKLJWIZPOMDJ-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.32
Rot. Bonds4

About 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one

2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 82100516) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID82100516
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(NC1CC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-7(15-9-3-4-9)12(16)10-5-2-8(13)6-11(10)14/h2,5-7,9,15H,3-4H2,1H3
InChIKeyXQSKLJWIZPOMDJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100517
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100503
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-2-(oxan-4-ylsulfinyl)propan-1-one
CID 64641187
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63565936
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one (CID 82100516) is 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one is CC(NC1CC1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is XQSKLJWIZPOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7(15-9-3-4-9)12(16)10-5-2-8(13)6-11(10)14/h2,5-7,9,15H,3-4H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one?
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 258.15 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 82100516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).