(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone

C13H9ClFNO — CID 10955955

IUPAC(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2
InChIKeyOYBRKOIWKRMOPW-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.29
Rot. Bonds2

About (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone

(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone (PubChem CID 10955955) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone
PubChem CID10955955
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2
InChIKeyOYBRKOIWKRMOPW-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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Related Compounds

2-Amino-5-chlorobenzophenone
CID 12870
2-Amino-2',5-dichlorobenzophenone
CID 18069
1-Amino-4-chloro-9,10-anthracenedione
CID 17884
2-(Methylamino)-5-chlorobenzophenone
CID 13925
2-Amino-5-chloro-2'-fluorobenzophenone
CID 69912
2-Amino-5-chlorobenzamide
CID 78876
5-Chloro-2-(chloroacetamido)benzophenone
CID 77635
2-Aminobenzophenone
CID 76080
Benzophenone, 2',5-dichloro-2-methylamino-
CID 21833
2-Bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide
CID 74106
2-Amino-4'-chlorobenzophenone
CID 76166
N-(2-benzoyl-4-chlorophenyl)benzamide
CID 769981

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone (CID 10955955) is (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone is Nc1ccc(Cl)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone?
The InChIKey is OYBRKOIWKRMOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2.
What are the key properties of (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone?
(2-amino-5-chlorophenyl)-(4-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-5-chlorophenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 10955955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).