5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C18H14Cl2N2O3 — CID 2166402

IUPAC5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H14Cl2N2O3/c19-13-3-5-16(15(20)8-13)24-11-14-4-6-17(25-14)18(23)22-10-12-2-1-7-21-9-12/h1-9H,10-11H2,(H,22,23)
InChIKeyKGTVJPIRGVBETC-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.49
Rot. Bonds6

About 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 2166402) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID2166402
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H14Cl2N2O3/c19-13-3-5-16(15(20)8-13)24-11-14-4-6-17(25-14)18(23)22-10-12-2-1-7-21-9-12/h1-9H,10-11H2,(H,22,23)
InChIKeyKGTVJPIRGVBETC-UHFFFAOYSA-N
XLogP4.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)-2-furamide
CID 725940
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
5-((2-Chlorophenoxy)methyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 717071
5-[(4-chlorophenoxy)methyl]-N-(2-pyridinylmethyl)-2-furamide
CID 726955
5-[(2-chlorophenoxy)methyl]-N-(2-pyridinyl)-2-furamide
CID 1225502
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide
CID 5210485
5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 800465
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 1071266
5-[(2-bromophenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide
CID 1269632
5-(phenoxymethyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 2524890
5-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2885301
3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45488466

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 2166402) is 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is KGTVJPIRGVBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c19-13-3-5-16(15(20)8-13)24-11-14-4-6-17(25-14)18(23)22-10-12-2-1-7-21-9-12/h1-9H,10-11H2,(H,22,23).
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2166402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).