5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide

C18H12ClF3N2O2 — CID 2810389

IUPAC5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c19-13-3-1-12(2-4-13)15-9-14(16(26-15)18(20,21)22)17(25)24-10-11-5-7-23-8-6-11/h1-9H,10H2,(H,24,25)
InChIKeyCXWQWGORUAAPDK-UHFFFAOYSA-N
MW380.75 g/mol
LogP4.94
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide

5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 2810389) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID2810389
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O2/c19-13-3-1-12(2-4-13)15-9-14(16(26-15)18(20,21)22)17(25)24-10-11-5-7-23-8-6-11/h1-9H,10H2,(H,24,25)
InChIKeyCXWQWGORUAAPDK-UHFFFAOYSA-N
XLogP4.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide (CID 2810389) is 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide is O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is CXWQWGORUAAPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c19-13-3-1-12(2-4-13)15-9-14(16(26-15)18(20,21)22)17(25)24-10-11-5-7-23-8-6-11/h1-9H,10H2,(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide?
5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 380.75 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 2810389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).