N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C17H12Cl3NO4 — CID 19415533

IUPACN-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C17H12Cl3NO4/c18-10-6-13(19)16(14(20)7-10)24-9-12-3-4-15(25-12)17(22)21-8-11-2-1-5-23-11/h1-7H,8-9H2,(H,21,22)
InChIKeyFZZLISHEPNTFPH-UHFFFAOYSA-N
MW400.65 g/mol
LogP5.34
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415533) has the molecular formula C17H12Cl3NO4 and a molecular weight of 400.65 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415533
Molecular FormulaC17H12Cl3NO4
Molecular Weight400.65 g/mol
Exact Mass398.98
IUPAC NameN-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C17H12Cl3NO4/c18-10-6-13(19)16(14(20)7-10)24-9-12-3-4-15(25-12)17(22)21-8-11-2-1-5-23-11/h1-7H,8-9H2,(H,21,22)
InChIKeyFZZLISHEPNTFPH-UHFFFAOYSA-N
XLogP5.34
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
5-[(4-ethoxyphenoxy)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 19413326
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415569
N-(furan-2-ylmethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461282
N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415522
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415533) is N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is O=C(NCc1ccco1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is FZZLISHEPNTFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO4/c18-10-6-13(19)16(14(20)7-10)24-9-12-3-4-15(25-12)17(22)21-8-11-2-1-5-23-11/h1-7H,8-9H2,(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 400.65 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).