5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide

C18H10Cl5NO3 — CID 19465856

IUPAC5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1
InChIInChI=1S/C18H10Cl5NO3/c19-12-13(20)15(22)17(16(23)14(12)21)26-8-10-6-7-11(27-10)18(25)24-9-4-2-1-3-5-9/h1-7H,8H2,(H,24,25)
InChIKeyMEILXMNLKKBWNN-UHFFFAOYSA-N
MW465.55 g/mol
LogP7.38
Rot. Bonds5

About 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide

5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide (PubChem CID 19465856) has the molecular formula C18H10Cl5NO3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide
PubChem CID19465856
Molecular FormulaC18H10Cl5NO3
Molecular Weight465.55 g/mol
Exact Mass462.91
IUPAC Name5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1
InChIInChI=1S/C18H10Cl5NO3/c19-12-13(20)15(22)17(16(23)14(12)21)26-8-10-6-7-11(27-10)18(25)24-9-4-2-1-3-5-9/h1-7H,8H2,(H,24,25)
InChIKeyMEILXMNLKKBWNN-UHFFFAOYSA-N
XLogP7.38
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19465854
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524
1-methyl-N-[4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19465959
1-methyl-N-[3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19465960
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
CID 19465878
methyl 2-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19465918
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
methyl 2-[[4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402390
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide (CID 19465856) is 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide is O=C(Nc1ccccc1)c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1.
What is the InChIKey of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide?
The InChIKey is MEILXMNLKKBWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl5NO3/c19-12-13(20)15(22)17(16(23)14(12)21)26-8-10-6-7-11(27-10)18(25)24-9-4-2-1-3-5-9/h1-7H,8H2,(H,24,25).
What are the key properties of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide?
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 7.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 19465856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).