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

C15H12Cl5NO3 — CID 19465878

IUPAC5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1
InChIInChI=1S/C15H12Cl5NO3/c1-2-5-21-15(22)8-4-3-7(24-8)6-23-14-12(19)10(17)9(16)11(18)13(14)20/h3-4H,2,5-6H2,1H3,(H,21,22)
InChIKeyIQLOPRQIBKBRPT-UHFFFAOYSA-N
MW431.53 g/mol
LogP6.27
Rot. Bonds6

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

5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide (PubChem CID 19465878) has the molecular formula C15H12Cl5NO3 and a molecular weight of 431.53 g/mol. Its IUPAC name is 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
PubChem CID19465878
Molecular FormulaC15H12Cl5NO3
Molecular Weight431.53 g/mol
Exact Mass428.93
IUPAC Name5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1
InChIInChI=1S/C15H12Cl5NO3/c1-2-5-21-15(22)8-4-3-7(24-8)6-23-14-12(19)10(17)9(16)11(18)13(14)20/h3-4H,2,5-6H2,1H3,(H,21,22)
InChIKeyIQLOPRQIBKBRPT-UHFFFAOYSA-N
XLogP6.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 56.27
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-[3-(diethylamino)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465978
methyl 2-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19465918
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19465854
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19465856
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19330146
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19288518
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19295754
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide (CID 19465878) is 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)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-propylfuran-2-carboxamide?
The InChIKey is IQLOPRQIBKBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl5NO3/c1-2-5-21-15(22)8-4-3-7(24-8)6-23-14-12(19)10(17)9(16)11(18)13(14)20/h3-4H,2,5-6H2,1H3,(H,21,22).
What are the key properties of 5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 6.27, 6 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-propylfuran-2-carboxamide is sourced from PubChem (CID 19465878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).