N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide

C21H20FN3O2 — CID 113019688

IUPACN-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-19-10-7-17(8-11-19)24-20-12-9-18(14-23-20)25-21(26)13-15-3-5-16(22)6-4-15/h3-12,14H,2,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyDVJLIVMJPGRMOU-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.54
Rot. Bonds7

About N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113019688) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID113019688
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-19-10-7-17(8-11-19)24-20-12-9-18(14-23-20)25-21(26)13-15-3-5-16(22)6-4-15/h3-12,14H,2,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyDVJLIVMJPGRMOU-UHFFFAOYSA-N
XLogP4.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[6-(tert-butylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113014791
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 113019688) is N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is CCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DVJLIVMJPGRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-27-19-10-7-17(8-11-19)24-20-12-9-18(14-23-20)25-21(26)13-15-3-5-16(22)6-4-15/h3-12,14H,2,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).