4-Chloro-2-(2,6-difluorobenzoyl)aniline

C13H8ClF2NO — CID 15563835

IUPAC(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone
SMILESC1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)N)F
InChIInChI=1S/C13H8ClF2NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H,17H2
InChIKeyDUMGVPIXKALANS-UHFFFAOYSA-N
MW267.66 g/mol
LogP4.00
Rot. Bonds2

About 4-Chloro-2-(2,6-difluorobenzoyl)aniline

4-Chloro-2-(2,6-difluorobenzoyl)aniline (PubChem CID 15563835) has the molecular formula C13H8ClF2NO and a molecular weight of 267.66 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name4-Chloro-2-(2,6-difluorobenzoyl)aniline
PubChem CID15563835
Molecular FormulaC13H8ClF2NO
Molecular Weight267.66 g/mol
Exact Mass267.03
IUPAC Name(2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone
SMILESC1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)N)F
InChIInChI=1S/C13H8ClF2NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H,17H2
InChIKeyDUMGVPIXKALANS-UHFFFAOYSA-N
XLogP4.00
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-(Methylamino)-5-chlorobenzophenone
CID 13925
2-Amino-5-chloro-2'-fluorobenzophenone
CID 69912
2-Amino-5-chlorobenzamide
CID 78876
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
7-chloro-1,2,3,4-tetrahydroacridin-9(10H)-one
CID 13999807
2-Amino-5-fluorobenzophenone
CID 778082

Frequently Asked Questions

What is the IUPAC name of 4-Chloro-2-(2,6-difluorobenzoyl)aniline?
The IUPAC name of 4-Chloro-2-(2,6-difluorobenzoyl)aniline (CID 15563835) is (2-amino-5-chlorophenyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for 4-Chloro-2-(2,6-difluorobenzoyl)aniline?
The canonical SMILES for 4-Chloro-2-(2,6-difluorobenzoyl)aniline is C1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)N)F.
What is the InChIKey of 4-Chloro-2-(2,6-difluorobenzoyl)aniline?
The InChIKey is DUMGVPIXKALANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H,17H2.
What are the key properties of 4-Chloro-2-(2,6-difluorobenzoyl)aniline?
4-Chloro-2-(2,6-difluorobenzoyl)aniline has a molecular weight of 267.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-2-(2,6-difluorobenzoyl)aniline is sourced from PubChem (CID 15563835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).