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

C20H16ClF2NO5 — CID 19458762

IUPAC5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)ccc1OC(F)F
InChIInChI=1S/C20H16ClF2NO5/c1-26-18-10-12(6-8-16(18)29-20(22)23)24-19(25)17-9-7-13(28-17)11-27-15-5-3-2-4-14(15)21/h2-10,20H,11H2,1H3,(H,24,25)
InChIKeyVHEUTZOMEIUPBH-UHFFFAOYSA-N
MW423.80 g/mol
LogP5.37
Rot. Bonds8

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

5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide (PubChem CID 19458762) has the molecular formula C20H16ClF2NO5 and a molecular weight of 423.80 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
PubChem CID19458762
Molecular FormulaC20H16ClF2NO5
Molecular Weight423.80 g/mol
Exact Mass423.07
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)ccc1OC(F)F
InChIInChI=1S/C20H16ClF2NO5/c1-26-18-10-12(6-8-16(18)29-20(22)23)24-19(25)17-9-7-13(28-17)11-27-15-5-3-2-4-14(15)21/h2-10,20H,11H2,1H3,(H,24,25)
InChIKeyVHEUTZOMEIUPBH-UHFFFAOYSA-N
XLogP5.37
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.80
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
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
5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide (CID 19458762) is 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)ccc1OC(F)F.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
The InChIKey is VHEUTZOMEIUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO5/c1-26-18-10-12(6-8-16(18)29-20(22)23)24-19(25)17-9-7-13(28-17)11-27-15-5-3-2-4-14(15)21/h2-10,20H,11H2,1H3,(H,24,25).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide has a molecular weight of 423.80 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 19458762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).