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

C19H13Cl2F2NO4 — CID 19458716

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C19H13Cl2F2NO4/c20-13-3-1-2-4-15(13)26-10-12-6-8-17(27-12)18(25)24-11-5-7-16(14(21)9-11)28-19(22)23/h1-9,19H,10H2,(H,24,25)
InChIKeyNFVIRQFEYFLHJJ-UHFFFAOYSA-N
MW428.22 g/mol
LogP6.02
Rot. Bonds7

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

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19458716) has the molecular formula C19H13Cl2F2NO4 and a molecular weight of 428.22 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19458716
Molecular FormulaC19H13Cl2F2NO4
Molecular Weight428.22 g/mol
Exact Mass427.02
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C19H13Cl2F2NO4/c20-13-3-1-2-4-15(13)26-10-12-6-8-17(27-12)18(25)24-11-5-7-16(14(21)9-11)28-19(22)23/h1-9,19H,10H2,(H,24,25)
InChIKeyNFVIRQFEYFLHJJ-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

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
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-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
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 N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (CID 19458716) is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is NFVIRQFEYFLHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2NO4/c20-13-3-1-2-4-15(13)26-10-12-6-8-17(27-12)18(25)24-11-5-7-16(14(21)9-11)28-19(22)23/h1-9,19H,10H2,(H,24,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]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 N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19458716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).