2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C23H18F5N3O2 — CID 166877140

IUPAC2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESC=C(F)c1cc(-c2ccc(CC(=O)Nc3cnc(OC)c(C(F)(F)F)c3)c(F)c2)cnc1C
InChIInChI=1S/C23H18F5N3O2/c1-12(24)18-6-16(10-29-13(18)2)14-4-5-15(20(25)7-14)8-21(32)31-17-9-19(23(26,27)28)22(33-3)30-11-17/h4-7,9-11H,1,8H2,2-3H3,(H,31,32)
InChIKeyGOUBUAYFLHONKS-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.74
Rot. Bonds6

About 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 166877140) has the molecular formula C23H18F5N3O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID166877140
Molecular FormulaC23H18F5N3O2
Molecular Weight463.41 g/mol
Exact Mass463.13
IUPAC Name2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESC=C(F)c1cc(-c2ccc(CC(=O)Nc3cnc(OC)c(C(F)(F)F)c3)c(F)c2)cnc1C
InChIInChI=1S/C23H18F5N3O2/c1-12(24)18-6-16(10-29-13(18)2)14-4-5-15(20(25)7-14)8-21(32)31-17-9-19(23(26,27)28)22(33-3)30-11-17/h4-7,9-11H,1,8H2,2-3H3,(H,31,32)
InChIKeyGOUBUAYFLHONKS-UHFFFAOYSA-N
XLogP5.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 166877140) is 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is C=C(F)c1cc(-c2ccc(CC(=O)Nc3cnc(OC)c(C(F)(F)F)c3)c(F)c2)cnc1C.
What is the InChIKey of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is GOUBUAYFLHONKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O2/c1-12(24)18-6-16(10-29-13(18)2)14-4-5-15(20(25)7-14)8-21(32)31-17-9-19(23(26,27)28)22(33-3)30-11-17/h4-7,9-11H,1,8H2,2-3H3,(H,31,32).
What are the key properties of 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 463.41 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 166877140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).