N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide

C21H20FN3O2 — CID 71727899

IUPACN-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-14-27-16-12-10-15(11-13-16)21(26)25-20-9-5-8-19(24-20)23-18-7-4-3-6-17(18)22/h3-13H,2,14H2,1H3,(H2,23,24,25,26)
InChIKeyWTRAVKRIGLRGGT-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.01
Rot. Bonds7

About N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide

N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide (PubChem CID 71727899) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
PubChem CID71727899
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-14-27-16-12-10-15(11-13-16)21(26)25-20-9-5-8-19(24-20)23-18-7-4-3-6-17(18)22/h3-13H,2,14H2,1H3,(H2,23,24,25,26)
InChIKeyWTRAVKRIGLRGGT-UHFFFAOYSA-N
XLogP5.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
The IUPAC name of N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide (CID 71727899) is N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
The canonical SMILES for N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3F)n2)cc1.
What is the InChIKey of N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
The InChIKey is WTRAVKRIGLRGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-14-27-16-12-10-15(11-13-16)21(26)25-20-9-5-8-19(24-20)23-18-7-4-3-6-17(18)22/h3-13H,2,14H2,1H3,(H2,23,24,25,26).
What are the key properties of N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide has a molecular weight of 365.41 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide is sourced from PubChem (CID 71727899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).