5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide

C20H15Cl2F2NO4 — CID 19415790

IUPAC5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C20H15Cl2F2NO4/c1-11-9-12(29-20(23)24)5-7-15(11)25-19(26)17-8-6-13(28-17)10-27-16-4-2-3-14(21)18(16)22/h2-9,20H,10H2,1H3,(H,25,26)
InChIKeySPWBUDUOZCNDKY-UHFFFAOYSA-N
MW442.25 g/mol
LogP6.33
Rot. Bonds7

About 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide

5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide (PubChem CID 19415790) has the molecular formula C20H15Cl2F2NO4 and a molecular weight of 442.25 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
PubChem CID19415790
Molecular FormulaC20H15Cl2F2NO4
Molecular Weight442.25 g/mol
Exact Mass441.03
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C20H15Cl2F2NO4/c1-11-9-12(29-20(23)24)5-7-15(11)25-19(26)17-8-6-13(28-17)10-27-16-4-2-3-14(21)18(16)22/h2-9,20H,10H2,1H3,(H,25,26)
InChIKeySPWBUDUOZCNDKY-UHFFFAOYSA-N
XLogP6.33
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.25
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465916
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
5-[(4-tert-butylphenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19452486
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide
CID 19269681
5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19446189
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide (CID 19415790) is 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is SPWBUDUOZCNDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2NO4/c1-11-9-12(29-20(23)24)5-7-15(11)25-19(26)17-8-6-13(28-17)10-27-16-4-2-3-14(21)18(16)22/h2-9,20H,10H2,1H3,(H,25,26).
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide?
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 442.25 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 19415790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).