N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide

C21H18ClFN2O2 — CID 35575456

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide
SMILESCc1ccccc1OCC(=O)N(Cc1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C21H18ClFN2O2/c1-15-7-2-3-10-19(15)27-14-21(26)25(20-11-4-5-12-24-20)13-16-17(22)8-6-9-18(16)23/h2-12H,13-14H2,1H3
InChIKeyVXFLXJNXJUCACO-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.79
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide (PubChem CID 35575456) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide
PubChem CID35575456
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide
SMILESCc1ccccc1OCC(=O)N(Cc1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C21H18ClFN2O2/c1-15-7-2-3-10-19(15)27-14-21(26)25(20-11-4-5-12-24-20)13-16-17(22)8-6-9-18(16)23/h2-12H,13-14H2,1H3
InChIKeyVXFLXJNXJUCACO-UHFFFAOYSA-N
XLogP4.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide 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 N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide (CID 35575456) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide is Cc1ccccc1OCC(=O)N(Cc1c(F)cccc1Cl)c1ccccn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide?
The InChIKey is VXFLXJNXJUCACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c1-15-7-2-3-10-19(15)27-14-21(26)25(20-11-4-5-12-24-20)13-16-17(22)8-6-9-18(16)23/h2-12H,13-14H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide has a molecular weight of 384.84 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 35575456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).