N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide

C23H20ClFN2O5 — CID 90061775

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccc(OCCO)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H20ClFN2O5/c1-31-21-9-8-19(27-22(21)15-4-7-18(25)17(24)12-15)20(29)13-26-23(30)14-2-5-16(6-3-14)32-11-10-28/h2-9,12,28H,10-11,13H2,1H3,(H,26,30)
InChIKeyNMFGNBYKXUQALS-UHFFFAOYSA-N
MW458.87 g/mol
LogP3.53
Rot. Bonds9

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide (PubChem CID 90061775) has the molecular formula C23H20ClFN2O5 and a molecular weight of 458.87 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide
PubChem CID90061775
Molecular FormulaC23H20ClFN2O5
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccc(OCCO)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H20ClFN2O5/c1-31-21-9-8-19(27-22(21)15-4-7-18(25)17(24)12-15)20(29)13-26-23(30)14-2-5-16(6-3-14)32-11-10-28/h2-9,12,28H,10-11,13H2,1H3,(H,26,30)
InChIKeyNMFGNBYKXUQALS-UHFFFAOYSA-N
XLogP3.53
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.87
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide 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-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide (CID 90061775) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide is COc1ccc(C(=O)CNC(=O)c2ccc(OCCO)cc2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide?
The InChIKey is NMFGNBYKXUQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O5/c1-31-21-9-8-19(27-22(21)15-4-7-18(25)17(24)12-15)20(29)13-26-23(30)14-2-5-16(6-3-14)32-11-10-28/h2-9,12,28H,10-11,13H2,1H3,(H,26,30).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide has a molecular weight of 458.87 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 90061775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).