(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone

C13H9Cl2NO — CID 3016510

IUPAC(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7H,16H2
InChIKeyWIXSUPUXSXRDEZ-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.81
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone

(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone (PubChem CID 3016510) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
PubChem CID3016510
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7H,16H2
InChIKeyWIXSUPUXSXRDEZ-UHFFFAOYSA-N
XLogP3.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone 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

(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
(4-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66259410
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
2-(4-amino-2-chlorophenyl)-2-oxoacetaldehyde
CID 174493058
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2,4-dichlorophenyl)-(4-phosphorosophenyl)methanone
CID 141016056
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone (CID 3016510) is (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone is Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone?
The InChIKey is WIXSUPUXSXRDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7H,16H2.
What are the key properties of (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone?
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone has a molecular weight of 266.13 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 3016510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).