5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide

C17H19Cl2NO2 — CID 3764379

IUPAC5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H19Cl2NO2/c1-2-3-4-5-10-20-17(21)16-9-8-15(22-16)13-7-6-12(18)11-14(13)19/h6-9,11H,2-5,10H2,1H3,(H,20,21)
InChIKeyFRVQZQBLVSGGBZ-UHFFFAOYSA-N
MW340.25 g/mol
LogP5.56
Rot. Bonds7

About 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide

5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide (PubChem CID 3764379) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
PubChem CID3764379
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H19Cl2NO2/c1-2-3-4-5-10-20-17(21)16-9-8-15(22-16)13-7-6-12(18)11-14(13)19/h6-9,11H,2-5,10H2,1H3,(H,20,21)
InChIKeyFRVQZQBLVSGGBZ-UHFFFAOYSA-N
XLogP5.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.25
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687739
2,4-dichloro-N-nonylbenzamide
CID 3596264
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
CID 134014900
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
N-[(2-butyltetrazol-5-yl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 4030687

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide (CID 3764379) is 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide is CCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide?
The InChIKey is FRVQZQBLVSGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-2-3-4-5-10-20-17(21)16-9-8-15(22-16)13-7-6-12(18)11-14(13)19/h6-9,11H,2-5,10H2,1H3,(H,20,21).
What are the key properties of 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide?
5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide is sourced from PubChem (CID 3764379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).