5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide

C18H14Cl2N2O3 — CID 1269620

IUPAC5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
InChIInChI=1S/C18H14Cl2N2O3/c1-11-3-2-4-17(21-11)22-18(23)16-8-6-13(25-16)10-24-15-7-5-12(19)9-14(15)20/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyQKFZDNJFVZIPAI-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.12
Rot. Bonds5

About 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 1269620) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide
PubChem CID1269620
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
InChIInChI=1S/C18H14Cl2N2O3/c1-11-3-2-4-17(21-11)22-18(23)16-8-6-13(25-16)10-24-15-7-5-12(19)9-14(15)20/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyQKFZDNJFVZIPAI-UHFFFAOYSA-N
XLogP5.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.12
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
5-[(2-chlorophenoxy)methyl]-N-(2-pyridinyl)-2-furamide
CID 1225502
5-[(4-ethoxyphenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 2165954
N-(5-chloro(2-pyridyl)){5-[(2-methoxyphenoxy)methyl](2-furyl)}carboxamide
CID 1084336
2-(2,4-dichlorophenoxy)-N-[1-(2-furyl)ethyl]-N-2-pyridinylacetamide
CID 2997578
N-(6-methylpyridin-2-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 3550402
N-(6-methylpyridin-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24240394
N-(5-chloropyridin-2-yl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 1223030
2-(2,4-dichlorophenoxy)-N-(6-methylpyridin-2-yl)propanamide
CID 2896030
5-[(2,5-dichlorophenoxy)methyl]-N-(5-methylpyridin-2-yl)furan-2-carboxamide
CID 1231751
2-(2,4-dichlorophenoxy)-N-(6-methylpyridin-2-yl)acetamide
CID 1080660
[2-[(3,5-Dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 16535910

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide (CID 1269620) is 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is QKFZDNJFVZIPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-11-3-2-4-17(21-11)22-18(23)16-8-6-13(25-16)10-24-15-7-5-12(19)9-14(15)20/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide?
5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 5.12, 5 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-(6-methyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 1269620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).