4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide

C14H12BrFN2O2 — CID 43395805

IUPAC4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(F)cc2Br)ccn1
InChIInChI=1S/C14H12BrFN2O2/c1-18(2)14(19)12-8-10(5-6-17-12)20-13-4-3-9(16)7-11(13)15/h3-8H,1-2H3
InChIKeyGBRCPCHAAICSTO-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.48
Rot. Bonds3

About 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide

4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 43395805) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide
PubChem CID43395805
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(F)cc2Br)ccn1
InChIInChI=1S/C14H12BrFN2O2/c1-18(2)14(19)12-8-10(5-6-17-12)20-13-4-3-9(16)7-11(13)15/h3-8H,1-2H3
InChIKeyGBRCPCHAAICSTO-UHFFFAOYSA-N
XLogP3.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide 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 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide (CID 43395805) is 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc(F)cc2Br)ccn1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is GBRCPCHAAICSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-18(2)14(19)12-8-10(5-6-17-12)20-13-4-3-9(16)7-11(13)15/h3-8H,1-2H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 339.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 43395805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).