(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone

C13H8Cl2FNO — CID 67505353

IUPAC(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H8Cl2FNO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H,17H2
InChIKeyOPZYXCXZCLYRGR-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.95
Rot. Bonds2

About (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone

(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 67505353) has the molecular formula C13H8Cl2FNO and a molecular weight of 284.12 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID67505353
Molecular FormulaC13H8Cl2FNO
Molecular Weight284.12 g/mol
Exact Mass283.00
IUPAC Name(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H8Cl2FNO/c14-7-4-5-11(17)8(6-7)13(18)12-9(15)2-1-3-10(12)16/h1-6H,17H2
InChIKeyOPZYXCXZCLYRGR-UHFFFAOYSA-N
XLogP3.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 53.95
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'}

Analyze (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone
CID 112756059
(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
CID 114561157
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone (CID 67505353) is (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone is Nc1ccc(Cl)cc1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is OPZYXCXZCLYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO/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 (2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone?
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 284.12 g/mol, XLogP of 3.95, 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)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 67505353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).