5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C25H21FN2O2 — CID 55983228

IUPAC5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H21FN2O2/c1-18-5-2-3-7-21(18)17-28(16-19-6-4-14-27-15-19)25(29)24-13-12-23(30-24)20-8-10-22(26)11-9-20/h2-15H,16-17H2,1H3
InChIKeyYRWVFZYFQUCGNJ-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.63
Rot. Bonds6

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

5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 55983228) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID55983228
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H21FN2O2/c1-18-5-2-3-7-21(18)17-28(16-19-6-4-14-27-15-19)25(29)24-13-12-23(30-24)20-8-10-22(26)11-9-20/h2-15H,16-17H2,1H3
InChIKeyYRWVFZYFQUCGNJ-UHFFFAOYSA-N
XLogP5.63
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 55983228) is 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is YRWVFZYFQUCGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-18-5-2-3-7-21(18)17-28(16-19-6-4-14-27-15-19)25(29)24-13-12-23(30-24)20-8-10-22(26)11-9-20/h2-15H,16-17H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 55983228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).