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

C13H9Cl2NO — CID 15918245

IUPAC(2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7H,16H2
InChIKeyIEGTYWQMAKPTBA-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.81
Rot. Bonds2

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

(2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone (PubChem CID 15918245) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone
PubChem CID15918245
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7H,16H2
InChIKeyIEGTYWQMAKPTBA-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone (CID 15918245) is (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone is Nc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone?
The InChIKey is IEGTYWQMAKPTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7H,16H2.
What are the key properties of (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone?
(2-amino-4-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 (2-amino-4-chlorophenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 15918245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).