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

C25H24ClFN2O5 — CID 90061841

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide
SMILESCOCCc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C25H24ClFN2O5/c1-32-11-10-15-4-5-17(13-23(15)34-3)25(31)28-14-21(30)20-8-9-22(33-2)24(29-20)16-6-7-19(27)18(26)12-16/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,31)
InChIKeyLKACOUIKLOFIDE-UHFFFAOYSA-N
MW486.93 g/mol
LogP4.36
Rot. Bonds10

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

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide (PubChem CID 90061841) has the molecular formula C25H24ClFN2O5 and a molecular weight of 486.93 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide
PubChem CID90061841
Molecular FormulaC25H24ClFN2O5
Molecular Weight486.93 g/mol
Exact Mass486.14
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide
SMILESCOCCc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1OC
InChIInChI=1S/C25H24ClFN2O5/c1-32-11-10-15-4-5-17(13-23(15)34-3)25(31)28-14-21(30)20-8-9-22(33-2)24(29-20)16-6-7-19(27)18(26)12-16/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,31)
InChIKeyLKACOUIKLOFIDE-UHFFFAOYSA-N
XLogP4.36
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 54.36
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-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide (CID 90061841) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide is COCCc1ccc(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-(2-methoxyethyl)benzamide?
The InChIKey is LKACOUIKLOFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O5/c1-32-11-10-15-4-5-17(13-23(15)34-3)25(31)28-14-21(30)20-8-9-22(33-2)24(29-20)16-6-7-19(27)18(26)12-16/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,31).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(2-methoxyethyl)benzamide has a molecular weight of 486.93 g/mol, XLogP of 4.36, 10 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-(2-methoxyethyl)benzamide is sourced from PubChem (CID 90061841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).