[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone

C14H11Cl2NO — CID 21833

IUPAC[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone
SMILESCNc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3
InChIKeyDQYHYPVCQHTLRO-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.27
Rot. Bonds3

About [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone

[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone (PubChem CID 21833) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone
PubChem CID21833
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone
SMILESCNc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3
InChIKeyDQYHYPVCQHTLRO-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone (CID 21833) is [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone is CNc1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone?
The InChIKey is DQYHYPVCQHTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3.
What are the key properties of [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone?
[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone has a molecular weight of 280.15 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 21833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).