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

C13H17Cl2NO — CID 82100503

IUPAC2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCCCNC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-4-7-16-9(2)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyAEXXMJGPZKYAKT-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.95
Rot. Bonds6

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

2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 82100503) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID82100503
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCCCNC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-4-7-16-9(2)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyAEXXMJGPZKYAKT-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100517
2-(butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 82100709
2-butylsulfonyl-1-(2,4-dichlorophenyl)propan-1-one
CID 64637284
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
2,4-dichloro-N-nonylbenzamide
CID 3596264
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one (CID 82100503) is 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one is CCCCNC(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is AEXXMJGPZKYAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-4-7-16-9(2)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one?
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 274.19 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 82100503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).