6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide

C24H23Cl2FN2O2 — CID 71519480

IUPAC6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H23Cl2FN2O2/c1-3-29(4-2)24(30)22-7-5-6-20(28-22)13-17-12-18(25)10-11-23(17)31-15-16-8-9-19(26)14-21(16)27/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyAWFBHJQNBWSWAR-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.18
Rot. Bonds8

About 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide

6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide (PubChem CID 71519480) has the molecular formula C24H23Cl2FN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide
PubChem CID71519480
Molecular FormulaC24H23Cl2FN2O2
Molecular Weight461.36 g/mol
Exact Mass460.11
IUPAC Name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H23Cl2FN2O2/c1-3-29(4-2)24(30)22-7-5-6-20(28-22)13-17-12-18(25)10-11-23(17)31-15-16-8-9-19(26)14-21(16)27/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyAWFBHJQNBWSWAR-UHFFFAOYSA-N
XLogP6.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-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 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide (CID 71519480) is 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is AWFBHJQNBWSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN2O2/c1-3-29(4-2)24(30)22-7-5-6-20(28-22)13-17-12-18(25)10-11-23(17)31-15-16-8-9-19(26)14-21(16)27/h5-12,14H,3-4,13,15H2,1-2H3.
What are the key properties of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide?
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 71519480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).