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

C19H13Cl2F2NO4 — CID 19415778

IUPAC5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H13Cl2F2NO4/c20-12-4-3-7-15(17(12)21)26-10-11-8-9-16(27-11)18(25)24-13-5-1-2-6-14(13)28-19(22)23/h1-9,19H,10H2,(H,24,25)
InChIKeyWTXZBAOBSLVNPR-UHFFFAOYSA-N
MW428.22 g/mol
LogP6.02
Rot. Bonds7

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

5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 19415778) has the molecular formula C19H13Cl2F2NO4 and a molecular weight of 428.22 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID19415778
Molecular FormulaC19H13Cl2F2NO4
Molecular Weight428.22 g/mol
Exact Mass427.02
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H13Cl2F2NO4/c20-12-4-3-7-15(17(12)21)26-10-11-8-9-16(27-11)18(25)24-13-5-1-2-6-14(13)28-19(22)23/h1-9,19H,10H2,(H,24,25)
InChIKeyWTXZBAOBSLVNPR-UHFFFAOYSA-N
XLogP6.02
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.22
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19446189
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
CID 19453001
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19465619
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide (CID 19415778) is 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1OC(F)F)c1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is WTXZBAOBSLVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2NO4/c20-12-4-3-7-15(17(12)21)26-10-11-8-9-16(27-11)18(25)24-13-5-1-2-6-14(13)28-19(22)23/h1-9,19H,10H2,(H,24,25).
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 428.22 g/mol, XLogP of 6.02, 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-[2-(difluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19415778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).