1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone

C14H11Cl2NO — CID 116597278

IUPAC1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
SMILESNc1cc(Cl)cc(C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11Cl2NO/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8H,5,17H2
InChIKeyAGBXCIPETJKNKK-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.00
Rot. Bonds3

About 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone

1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone (PubChem CID 116597278) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
PubChem CID116597278
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
SMILESNc1cc(Cl)cc(C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11Cl2NO/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8H,5,17H2
InChIKeyAGBXCIPETJKNKK-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone 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-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
CID 116597474
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106871319
1-(3-amino-5-chlorophenyl)-4,4-dimethylpentan-1-one
CID 116597298
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
CID 116597491
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone
CID 63748738
1-(3-amino-5-chlorophenyl)pent-3-yn-1-one
CID 116597316
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone (CID 116597278) is 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone is Nc1cc(Cl)cc(C(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is AGBXCIPETJKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8H,5,17H2.
What are the key properties of 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone?
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone has a molecular weight of 280.15 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 116597278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).