N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide

C16H17Cl2NO3 — CID 19415847

IUPACN-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H17Cl2NO3/c1-2-3-9-19-16(20)14-8-7-11(22-14)10-21-13-6-4-5-12(17)15(13)18/h4-8H,2-3,9-10H2,1H3,(H,19,20)
InChIKeyWWXYHXVIEBHZCU-UHFFFAOYSA-N
MW342.22 g/mol
LogP4.70
Rot. Bonds7

About N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide

N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415847) has the molecular formula C16H17Cl2NO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415847
Molecular FormulaC16H17Cl2NO3
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC NameN-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H17Cl2NO3/c1-2-3-9-19-16(20)14-8-7-11(22-14)10-21-13-6-4-5-12(17)15(13)18/h4-8H,2-3,9-10H2,1H3,(H,19,20)
InChIKeyWWXYHXVIEBHZCU-UHFFFAOYSA-N
XLogP4.70
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 54.70
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

N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198
5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753507
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
ethyl (2R)-2-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19415733
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-N-propylfuran-2-carboxamide
CID 19465878
N-butyl-5-(2-chlorophenoxy)furan-2-carboxamide
CID 91938782
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170885417

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide (CID 19415847) is N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide is CCCCNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is WWXYHXVIEBHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3/c1-2-3-9-19-16(20)14-8-7-11(22-14)10-21-13-6-4-5-12(17)15(13)18/h4-8H,2-3,9-10H2,1H3,(H,19,20).
What are the key properties of N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide?
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 342.22 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).