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

C24H22ClFN2O5 — CID 90061848

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C24H22ClFN2O5/c1-31-13-16-5-4-15(11-22(16)33-3)24(30)27-12-20(29)19-8-9-21(32-2)23(28-19)14-6-7-18(26)17(25)10-14/h4-11H,12-13H2,1-3H3,(H,27,30)
InChIKeyJMYXLGJPRFKZRE-UHFFFAOYSA-N
MW472.90 g/mol
LogP4.32
Rot. Bonds9

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

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide (PubChem CID 90061848) has the molecular formula C24H22ClFN2O5 and a molecular weight of 472.90 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide
PubChem CID90061848
Molecular FormulaC24H22ClFN2O5
Molecular Weight472.90 g/mol
Exact Mass472.12
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C24H22ClFN2O5/c1-31-13-16-5-4-15(11-22(16)33-3)24(30)27-12-20(29)19-8-9-21(32-2)23(28-19)14-6-7-18(26)17(25)10-14/h4-11H,12-13H2,1-3H3,(H,27,30)
InChIKeyJMYXLGJPRFKZRE-UHFFFAOYSA-N
XLogP4.32
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide (CID 90061848) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide?
The InChIKey is JMYXLGJPRFKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O5/c1-31-13-16-5-4-15(11-22(16)33-3)24(30)27-12-20(29)19-8-9-21(32-2)23(28-19)14-6-7-18(26)17(25)10-14/h4-11H,12-13H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(methoxymethyl)benzamide has a molecular weight of 472.90 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 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]-3-methoxy-4-(methoxymethyl)benzamide is sourced from PubChem (CID 90061848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).