2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide

C23H21FN2O2 — CID 55709586

IUPAC2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CC1c1ccccc1F
InChIInChI=1S/C23H21FN2O2/c24-22-10-2-1-9-19(22)20-13-21(20)23(27)26-14-16-6-5-8-18(12-16)28-15-17-7-3-4-11-25-17/h1-12,20-21H,13-15H2,(H,26,27)
InChIKeyAXPJCXATAYXRRB-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.22
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55709586) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID55709586
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CC1c1ccccc1F
InChIInChI=1S/C23H21FN2O2/c24-22-10-2-1-9-19(22)20-13-21(20)23(27)26-14-16-6-5-8-18(12-16)28-15-17-7-3-4-11-25-17/h1-12,20-21H,13-15H2,(H,26,27)
InChIKeyAXPJCXATAYXRRB-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide (CID 55709586) is 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)C1CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is AXPJCXATAYXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-22-10-2-1-9-19(22)20-13-21(20)23(27)26-14-16-6-5-8-18(12-16)28-15-17-7-3-4-11-25-17/h1-12,20-21H,13-15H2,(H,26,27).
What are the key properties of 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55709586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).