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

C19H14ClF2NO4 — CID 19446189

IUPAC5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C19H14ClF2NO4/c20-12-4-3-5-13(10-12)25-11-14-8-9-17(26-14)18(24)23-15-6-1-2-7-16(15)27-19(21)22/h1-10,19H,11H2,(H,23,24)
InChIKeyQRMAUFLVWAMIPH-UHFFFAOYSA-N
MW393.77 g/mol
LogP5.37
Rot. Bonds7

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

5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 19446189) has the molecular formula C19H14ClF2NO4 and a molecular weight of 393.77 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID19446189
Molecular FormulaC19H14ClF2NO4
Molecular Weight393.77 g/mol
Exact Mass393.06
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C19H14ClF2NO4/c20-12-4-3-5-13(10-12)25-11-14-8-9-17(26-14)18(24)23-15-6-1-2-7-16(15)27-19(21)22/h1-10,19H,11H2,(H,23,24)
InChIKeyQRMAUFLVWAMIPH-UHFFFAOYSA-N
XLogP5.37
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.77
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19465619
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]furan-2-carboxamide
CID 19453001

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide (CID 19446189) is 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1OC(F)F)c1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is QRMAUFLVWAMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO4/c20-12-4-3-5-13(10-12)25-11-14-8-9-17(26-14)18(24)23-15-6-1-2-7-16(15)27-19(21)22/h1-10,19H,11H2,(H,23,24).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 393.77 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19446189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).