N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide

C23H24F2N2O3 — CID 162763821

IUPACN-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1-c1cccc2cc(C(=O)NC3CNCCC3(F)F)oc12
InChIInChI=1S/C23H24F2N2O3/c1-2-12-29-18-9-4-3-7-16(18)17-8-5-6-15-13-19(30-21(15)17)22(28)27-20-14-26-11-10-23(20,24)25/h3-9,13,20,26H,2,10-12,14H2,1H3,(H,27,28)
InChIKeyKROGVZZDTJRLAU-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.62
Rot. Bonds6

About N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide

N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 162763821) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID162763821
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1-c1cccc2cc(C(=O)NC3CNCCC3(F)F)oc12
InChIInChI=1S/C23H24F2N2O3/c1-2-12-29-18-9-4-3-7-16(18)17-8-5-6-15-13-19(30-21(15)17)22(28)27-20-14-26-11-10-23(20,24)25/h3-9,13,20,26H,2,10-12,14H2,1H3,(H,27,28)
InChIKeyKROGVZZDTJRLAU-UHFFFAOYSA-N
XLogP4.62
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763855

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide (CID 162763821) is N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide is CCCOc1ccccc1-c1cccc2cc(C(=O)NC3CNCCC3(F)F)oc12.
What is the InChIKey of N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is KROGVZZDTJRLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c1-2-12-29-18-9-4-3-7-16(18)17-8-5-6-15-13-19(30-21(15)17)22(28)27-20-14-26-11-10-23(20,24)25/h3-9,13,20,26H,2,10-12,14H2,1H3,(H,27,28).
What are the key properties of N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide?
N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropiperidin-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).