5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide

C18H21ClFNO3 — CID 19452883

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C18H21ClFNO3/c1-2-3-4-5-10-21-18(22)17-9-7-14(24-17)12-23-16-8-6-13(20)11-15(16)19/h6-9,11H,2-5,10,12H2,1H3,(H,21,22)
InChIKeySBHDVXNJQFZIRH-UHFFFAOYSA-N
MW353.82 g/mol
LogP4.96
Rot. Bonds9

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide (PubChem CID 19452883) has the molecular formula C18H21ClFNO3 and a molecular weight of 353.82 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
PubChem CID19452883
Molecular FormulaC18H21ClFNO3
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C18H21ClFNO3/c1-2-3-4-5-10-21-18(22)17-9-7-14(24-17)12-23-16-8-6-13(20)11-15(16)19/h6-9,11H,2-5,10,12H2,1H3,(H,21,22)
InChIKeySBHDVXNJQFZIRH-UHFFFAOYSA-N
XLogP4.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]furan-2-carboxamide
CID 19330322
N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457206
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19295718
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19326057
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279886
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
N-butyl-2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26317223

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide (CID 19452883) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide is CCCCCCNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide?
The InChIKey is SBHDVXNJQFZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO3/c1-2-3-4-5-10-21-18(22)17-9-7-14(24-17)12-23-16-8-6-13(20)11-15(16)19/h6-9,11H,2-5,10,12H2,1H3,(H,21,22).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide has a molecular weight of 353.82 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide is sourced from PubChem (CID 19452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).