5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide

C20H15ClF3NO4 — CID 19453001

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)c1
InChIInChI=1S/C20H15ClF3NO4/c1-11-2-5-17(29-20(23)24)15(8-11)25-19(26)18-7-4-13(28-18)10-27-16-6-3-12(22)9-14(16)21/h2-9,20H,10H2,1H3,(H,25,26)
InChIKeySUYREGRYRKAGNN-UHFFFAOYSA-N
MW425.79 g/mol
LogP5.81
Rot. Bonds7

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide (PubChem CID 19453001) has the molecular formula C20H15ClF3NO4 and a molecular weight of 425.79 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
PubChem CID19453001
Molecular FormulaC20H15ClF3NO4
Molecular Weight425.79 g/mol
Exact Mass425.06
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(OC(F)F)c(NC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)c1
InChIInChI=1S/C20H15ClF3NO4/c1-11-2-5-17(29-20(23)24)15(8-11)25-19(26)18-7-4-13(28-18)10-27-16-6-3-12(22)9-14(16)21/h2-9,20H,10H2,1H3,(H,25,26)
InChIKeySUYREGRYRKAGNN-UHFFFAOYSA-N
XLogP5.81
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
N-[2-(difluoromethoxy)-4-methylphenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461448
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336639
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]furan-2-carboxamide
CID 19459716
5-[(4-acetylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]furan-2-carboxamide
CID 19455292
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19452993

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide (CID 19453001) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide is Cc1ccc(OC(F)F)c(NC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)c1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide?
The InChIKey is SUYREGRYRKAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO4/c1-11-2-5-17(29-20(23)24)15(8-11)25-19(26)18-7-4-13(28-18)10-27-16-6-3-12(22)9-14(16)21/h2-9,20H,10H2,1H3,(H,25,26).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide has a molecular weight of 425.79 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 19453001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).