N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C23H17F3N2O2 — CID 177379294

IUPACN-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccc(-c3ccc(Oc4ccccc4)cc3)o2)ccn1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)22-14-17(12-13-27-22)28-15-20-10-11-21(30-20)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-14H,15H2,(H,27,28)
InChIKeyAAUAPAROLIZRML-UHFFFAOYSA-N
MW410.40 g/mol
LogP6.76
Rot. Bonds6

About N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 177379294) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID177379294
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccc(-c3ccc(Oc4ccccc4)cc3)o2)ccn1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)22-14-17(12-13-27-22)28-15-20-10-11-21(30-20)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-14H,15H2,(H,27,28)
InChIKeyAAUAPAROLIZRML-UHFFFAOYSA-N
XLogP6.76
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 177379294) is N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCc2ccc(-c3ccc(Oc4ccccc4)cc3)o2)ccn1.
What is the InChIKey of N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is AAUAPAROLIZRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)22-14-17(12-13-27-22)28-15-20-10-11-21(30-20)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-14H,15H2,(H,27,28).
What are the key properties of N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 410.40 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-phenoxyphenyl)furan-2-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 177379294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).