5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide

C24H17ClF2N2O3 — CID 15605379

IUPAC5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(Cc2cc(Cl)ccc2OCc2cccnc2)o1
InChIInChI=1S/C24H17ClF2N2O3/c25-17-6-8-21(31-14-15-3-2-10-28-13-15)16(11-17)12-18-7-9-22(32-18)24(30)29-23-19(26)4-1-5-20(23)27/h1-11,13H,12,14H2,(H,29,30)
InChIKeyOEIPBDOXFGPXSQ-UHFFFAOYSA-N
MW454.86 g/mol
LogP6.03
Rot. Bonds7

About 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide

5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide (PubChem CID 15605379) has the molecular formula C24H17ClF2N2O3 and a molecular weight of 454.86 g/mol. Its IUPAC name is 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
PubChem CID15605379
Molecular FormulaC24H17ClF2N2O3
Molecular Weight454.86 g/mol
Exact Mass454.09
IUPAC Name5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(Cc2cc(Cl)ccc2OCc2cccnc2)o1
InChIInChI=1S/C24H17ClF2N2O3/c25-17-6-8-21(31-14-15-3-2-10-28-13-15)16(11-17)12-18-7-9-22(32-18)24(30)29-23-19(26)4-1-5-20(23)27/h1-11,13H,12,14H2,(H,29,30)
InChIKeyOEIPBDOXFGPXSQ-UHFFFAOYSA-N
XLogP6.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
[4-chloro-2-[[5-[(2,6-difluorophenyl)carbamoyl]furan-2-yl]methyl]phenyl] acetate
CID 59845829
5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane
CID 143316142
5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932
sodium 5-[[5-chloro-2-[(3,4,5-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667798
sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 59845812
N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]phenyl]acetamide
CID 55767821
N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 143316139

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide (CID 15605379) is 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide is O=C(Nc1c(F)cccc1F)c1ccc(Cc2cc(Cl)ccc2OCc2cccnc2)o1.
What is the InChIKey of 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide?
The InChIKey is OEIPBDOXFGPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N2O3/c25-17-6-8-21(31-14-15-3-2-10-28-13-15)16(11-17)12-18-7-9-22(32-18)24(30)29-23-19(26)4-1-5-20(23)27/h1-11,13H,12,14H2,(H,29,30).
What are the key properties of 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide?
5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide has a molecular weight of 454.86 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 15605379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).