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

C17H16Cl3NO3 — CID 19415446

IUPACN-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C17H16Cl3NO3/c18-10-7-13(19)16(14(20)8-10)23-9-12-5-6-15(24-12)17(22)21-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,21,22)
InChIKeyYVXRAAOAFSBRGI-UHFFFAOYSA-N
MW388.68 g/mol
LogP5.49
Rot. Bonds5

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

N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415446) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415446
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC NameN-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C17H16Cl3NO3/c18-10-7-13(19)16(14(20)8-10)23-9-12-5-6-15(24-12)17(22)21-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,21,22)
InChIKeyYVXRAAOAFSBRGI-UHFFFAOYSA-N
XLogP5.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415522
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
CID 19459447
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-(1-adamantylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415569
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-(4-phenylphenyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415524

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415446) is N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is O=C(NC1CCCC1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is YVXRAAOAFSBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c18-10-7-13(19)16(14(20)8-10)23-9-12-5-6-15(24-12)17(22)21-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,21,22).
What are the key properties of N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 388.68 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).