1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride

C8H8Cl3NO — CID 71393549

IUPAC1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
SMILESCC(=O)c1cc(N)c(Cl)cc1Cl.Cl
InChIInChI=1S/C8H7Cl2NO.ClH/c1-4(12)5-2-8(11)7(10)3-6(5)9;/h2-3H,11H2,1H3;1H
InChIKeyJLXNQHYKENWLGV-UHFFFAOYSA-N
MW240.52 g/mol
LogP3.20
Rot. Bonds1

About 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride

1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride (PubChem CID 71393549) has the molecular formula C8H8Cl3NO and a molecular weight of 240.52 g/mol. Its IUPAC name is 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
PubChem CID71393549
Molecular FormulaC8H8Cl3NO
Molecular Weight240.52 g/mol
Exact Mass238.97
IUPAC Name1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
SMILESCC(=O)c1cc(N)c(Cl)cc1Cl.Cl
InChIInChI=1S/C8H7Cl2NO.ClH/c1-4(12)5-2-8(11)7(10)3-6(5)9;/h2-3H,11H2,1H3;1H
InChIKeyJLXNQHYKENWLGV-UHFFFAOYSA-N
XLogP3.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride 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-(5-amino-4-chloro-2-fluorophenyl)ethanone
CID 131597067
1-(5-amino-4-chloro-2-iodophenyl)ethanone
CID 131577542
1-(5-amino-2-chloro-4-ethylphenyl)ethanone
CID 131312926
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804437
1-(5-amino-3-chloro-2-methylphenyl)ethanone
CID 131271311
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride (CID 71393549) is 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride is CC(=O)c1cc(N)c(Cl)cc1Cl.Cl.
What is the InChIKey of 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride?
The InChIKey is JLXNQHYKENWLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO.ClH/c1-4(12)5-2-8(11)7(10)3-6(5)9;/h2-3H,11H2,1H3;1H.
What are the key properties of 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride?
1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride has a molecular weight of 240.52 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 71393549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).