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

C13H9ClFNO — CID 2735887

IUPAC(2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C13H9ClFNO/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChIKeyOBXGOBSNRWWAOU-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.29
Rot. Bonds2

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

(2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone (PubChem CID 2735887) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone
PubChem CID2735887
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C13H9ClFNO/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChIKeyOBXGOBSNRWWAOU-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.29
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)-(2-fluorophenyl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone (CID 2735887) is (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone is Nc1cc(Cl)ccc1C(=O)c1ccccc1F.
What is the InChIKey of (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone?
The InChIKey is OBXGOBSNRWWAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-8-5-6-10(12(16)7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2.
What are the key properties of (2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone?
(2-amino-4-chlorophenyl)-(2-fluorophenyl)methanone has a molecular weight of 249.67 g/mol, XLogP of 3.29, 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)-(2-fluorophenyl)methanone is sourced from PubChem (CID 2735887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).