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

C17H15Cl2N3O3 — CID 999321

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H15Cl2N3O3/c1-22-12(6-7-21-22)9-20-17(23)15-5-3-13(25-15)10-24-16-8-11(18)2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyVJANVGROELCUBX-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.83
Rot. Bonds6

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

5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 999321) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
PubChem CID999321
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H15Cl2N3O3/c1-22-12(6-7-21-22)9-20-17(23)15-5-3-13(25-15)10-24-16-8-11(18)2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyVJANVGROELCUBX-UHFFFAOYSA-N
XLogP3.83
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 999321) is 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide is Cn1nccc1CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is VJANVGROELCUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-22-12(6-7-21-22)9-20-17(23)15-5-3-13(25-15)10-24-16-8-11(18)2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 380.23 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 999321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).