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

C20H15Cl2F2NO5 — CID 19415824

IUPAC5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)ccc1OC(F)F
InChIInChI=1S/C20H15Cl2F2NO5/c1-27-17-9-11(5-7-14(17)30-20(23)24)25-19(26)16-8-6-12(29-16)10-28-15-4-2-3-13(21)18(15)22/h2-9,20H,10H2,1H3,(H,25,26)
InChIKeyXWLQITDDBCLLPH-UHFFFAOYSA-N
MW458.24 g/mol
LogP6.03
Rot. Bonds8

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

5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide (PubChem CID 19415824) has the molecular formula C20H15Cl2F2NO5 and a molecular weight of 458.24 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
PubChem CID19415824
Molecular FormulaC20H15Cl2F2NO5
Molecular Weight458.24 g/mol
Exact Mass457.03
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)ccc1OC(F)F
InChIInChI=1S/C20H15Cl2F2NO5/c1-27-17-9-11(5-7-14(17)30-20(23)24)25-19(26)16-8-6-12(29-16)10-28-15-4-2-3-13(21)18(15)22/h2-9,20H,10H2,1H3,(H,25,26)
InChIKeyXWLQITDDBCLLPH-UHFFFAOYSA-N
XLogP6.03
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.24
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
CID 19415798
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455504

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide (CID 19415824) is 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)ccc1OC(F)F.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
The InChIKey is XWLQITDDBCLLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2NO5/c1-27-17-9-11(5-7-14(17)30-20(23)24)25-19(26)16-8-6-12(29-16)10-28-15-4-2-3-13(21)18(15)22/h2-9,20H,10H2,1H3,(H,25,26).
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide has a molecular weight of 458.24 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 19415824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).