4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one

C11H13Cl2NO — CID 116564374

IUPAC4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
SMILESCC(CN)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(6-14)11(15)4-8-2-3-9(12)5-10(8)13/h2-3,5,7H,4,6,14H2,1H3
InChIKeyCVJWQDACAJTLPW-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one

4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one (PubChem CID 116564374) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
PubChem CID116564374
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
SMILESCC(CN)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(6-14)11(15)4-8-2-3-9(12)5-10(8)13/h2-3,5,7H,4,6,14H2,1H3
InChIKeyCVJWQDACAJTLPW-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-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

3-(aminomethyl)-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116597817
1-(2,4-dichlorophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586741
4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one
CID 116612120
1-(2,4-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455227
3-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116553435
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
(Z)-3-[(2,4-dichlorophenyl)methyl]-4-methylpent-2-enoic acid
CID 82093437
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one?
The IUPAC name of 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one (CID 116564374) is 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one.
What is the SMILES notation for 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one?
The canonical SMILES for 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one is CC(CN)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one?
The InChIKey is CVJWQDACAJTLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7(6-14)11(15)4-8-2-3-9(12)5-10(8)13/h2-3,5,7H,4,6,14H2,1H3.
What are the key properties of 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one?
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one has a molecular weight of 246.14 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one is sourced from PubChem (CID 116564374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).