5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide

C25H19ClFNO3 — CID 15605179

IUPAC5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1
InChIInChI=1S/C25H19ClFNO3/c26-19-10-12-23(30-16-17-6-2-1-3-7-17)18(14-19)15-20-11-13-24(31-20)25(29)28-22-9-5-4-8-21(22)27/h1-14H,15-16H2,(H,28,29)
InChIKeyUSLIBEQTIFEXSR-UHFFFAOYSA-N
MW435.88 g/mol
LogP6.49
Rot. Bonds7

About 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide

5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 15605179) has the molecular formula C25H19ClFNO3 and a molecular weight of 435.88 g/mol. Its IUPAC name is 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
PubChem CID15605179
Molecular FormulaC25H19ClFNO3
Molecular Weight435.88 g/mol
Exact Mass435.10
IUPAC Name5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1
InChIInChI=1S/C25H19ClFNO3/c26-19-10-12-23(30-16-17-6-2-1-3-7-17)18(14-19)15-20-11-13-24(31-20)25(29)28-22-9-5-4-8-21(22)27/h1-14H,15-16H2,(H,28,29)
InChIKeyUSLIBEQTIFEXSR-UHFFFAOYSA-N
XLogP6.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.88
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932
5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
CID 15605379
N-(2-bromophenyl)-5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-carboxamide
CID 71051921
sodium 5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667794
[4-chloro-2-[[5-[(2,6-difluorophenyl)carbamoyl]furan-2-yl]methyl]phenyl] acetate
CID 59845829
sodium 5-[[5-chloro-2-[(3,4,5-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 23667798
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3334338
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 59845812
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
5-[(5-chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide;ethane
CID 143316142

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 15605179) is 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1.
What is the InChIKey of 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is USLIBEQTIFEXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFNO3/c26-19-10-12-23(30-16-17-6-2-1-3-7-17)18(14-19)15-20-11-13-24(31-20)25(29)28-22-9-5-4-8-21(22)27/h1-14H,15-16H2,(H,28,29).
What are the key properties of 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide?
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 435.88 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 15605179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).