N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide

C21H20FN3O2 — CID 71727900

IUPACN-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-13-27-18-11-9-15(10-12-18)21(26)25-20-8-4-7-19(24-20)23-17-6-3-5-16(22)14-17/h3-12,14H,2,13H2,1H3,(H2,23,24,25,26)
InChIKeyAWGIHERSUKZEIR-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.01
Rot. Bonds7

About N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide

N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide (PubChem CID 71727900) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
PubChem CID71727900
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-13-27-18-11-9-15(10-12-18)21(26)25-20-8-4-7-19(24-20)23-17-6-3-5-16(22)14-17/h3-12,14H,2,13H2,1H3,(H2,23,24,25,26)
InChIKeyAWGIHERSUKZEIR-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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
The IUPAC name of N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide (CID 71727900) is N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide.
What is the SMILES notation for N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
The canonical SMILES for N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
The InChIKey is AWGIHERSUKZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-13-27-18-11-9-15(10-12-18)21(26)25-20-8-4-7-19(24-20)23-17-6-3-5-16(22)14-17/h3-12,14H,2,13H2,1H3,(H2,23,24,25,26).
What are the key properties of N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide?
N-[6-(3-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-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide is sourced from PubChem (CID 71727900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).