N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide

C23H22ClFN2O3 — CID 70919061

IUPACN-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide
SMILESCCc1ccc(OCF)c(CN(C(C)=O)c2cccnc2Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClFN2O3/c1-3-17-6-11-22(29-15-25)18(13-17)14-27(16(2)28)21-5-4-12-26-23(21)30-20-9-7-19(24)8-10-20/h4-13H,3,14-15H2,1-2H3
InChIKeyVTXHEKHTPJDFHK-UHFFFAOYSA-N
MW428.89 g/mol
LogP5.95
Rot. Bonds8

About N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide

N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide (PubChem CID 70919061) has the molecular formula C23H22ClFN2O3 and a molecular weight of 428.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide
PubChem CID70919061
Molecular FormulaC23H22ClFN2O3
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC NameN-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide
SMILESCCc1ccc(OCF)c(CN(C(C)=O)c2cccnc2Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClFN2O3/c1-3-17-6-11-22(29-15-25)18(13-17)14-27(16(2)28)21-5-4-12-26-23(21)30-20-9-7-19(24)8-10-20/h4-13H,3,14-15H2,1-2H3
InChIKeyVTXHEKHTPJDFHK-UHFFFAOYSA-N
XLogP5.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.89
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloro-2-fluorophenoxy)-3-pyridinyl]-N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]acetamide;N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-[2-(2-fluorophenoxy)-3-pyridinyl]acetamide;N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-iodophenoxy)-3-pyridinyl]acetamide;N-[[2-(fluoromethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 160894769
3-[2-[[acetyl-[2-(4-chlorophenoxy)-3-pyridinyl]amino]methyl]-4-methylphenoxy]propyl 4-methylbenzenesulfonate;ethane
CID 143936348
N-[2-[(4-chlorophenyl)methyl]-3-pyridinyl]-N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 89100637
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-fluorophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-iodophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 159302896
[2-[[acetyl-[2-(2-fluorophenoxy)-3-pyridinyl]amino]methyl]-4-methoxyphenyl] propane-1-sulfonate
CID 174724479
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 44622012
N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide
CID 91408389
N-[2-(2-fluorophenoxy)-3-pyridinyl]-N-[[2-(furan-2-ylmethoxy)-5-methoxyphenyl]methyl]acetamide
CID 91567062
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide
CID 70919054
N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide
CID 58029265
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide
CID 139823913

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide (CID 70919061) is N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide is CCc1ccc(OCF)c(CN(C(C)=O)c2cccnc2Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is VTXHEKHTPJDFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3/c1-3-17-6-11-22(29-15-25)18(13-17)14-27(16(2)28)21-5-4-12-26-23(21)30-20-9-7-19(24)8-10-20/h4-13H,3,14-15H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide?
N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 428.89 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 70919061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).