4-Chloro-2-(4-fluorobenzoyl)aniline

C13H9ClFNO — CID 10955955

IUPAC(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone
SMILESC1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Cl)N)F
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
LogP3.70
Rot. Bonds2

About 4-Chloro-2-(4-fluorobenzoyl)aniline

4-Chloro-2-(4-fluorobenzoyl)aniline (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 Name4-Chloro-2-(4-fluorobenzoyl)aniline
PubChem CID10955955
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone
SMILESC1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Cl)N)F
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
XLogP3.70
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity279

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-Chloro-2-(4-fluorobenzoyl)aniline?
The IUPAC name of 4-Chloro-2-(4-fluorobenzoyl)aniline (CID 10955955) is (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for 4-Chloro-2-(4-fluorobenzoyl)aniline?
The canonical SMILES for 4-Chloro-2-(4-fluorobenzoyl)aniline is C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Cl)N)F.
What is the InChIKey of 4-Chloro-2-(4-fluorobenzoyl)aniline?
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 4-Chloro-2-(4-fluorobenzoyl)aniline?
4-Chloro-2-(4-fluorobenzoyl)aniline has a molecular weight of 249.67 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-2-(4-fluorobenzoyl)aniline is sourced from PubChem (CID 10955955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).