N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide

C19H12Cl2F3NO4 — CID 19452984

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C19H12Cl2F3NO4/c20-13-7-10(22)1-4-15(13)27-9-12-3-6-17(28-12)18(26)25-11-2-5-16(14(21)8-11)29-19(23)24/h1-8,19H,9H2,(H,25,26)
InChIKeyDTRPSIRABLJXGF-UHFFFAOYSA-N
MW446.21 g/mol
LogP6.16
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19452984) has the molecular formula C19H12Cl2F3NO4 and a molecular weight of 446.21 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19452984
Molecular FormulaC19H12Cl2F3NO4
Molecular Weight446.21 g/mol
Exact Mass445.01
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C19H12Cl2F3NO4/c20-13-7-10(22)1-4-15(13)27-9-12-3-6-17(28-12)18(26)25-11-2-5-16(14(21)8-11)29-19(23)24/h1-8,19H,9H2,(H,25,26)
InChIKeyDTRPSIRABLJXGF-UHFFFAOYSA-N
XLogP6.16
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.21
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
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-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455504
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]furan-2-carboxamide
CID 19459716
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide (CID 19452984) is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccc(F)cc2Cl)o1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is DTRPSIRABLJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO4/c20-13-7-10(22)1-4-15(13)27-9-12-3-6-17(28-12)18(26)25-11-2-5-16(14(21)8-11)29-19(23)24/h1-8,19H,9H2,(H,25,26).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 446.21 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19452984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).