2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide

C21H13F2NO2S — CID 24875778

IUPAC2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccoc3)c2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H13F2NO2S/c22-17-2-1-3-18(23)20(17)21(25)24-16-6-4-13(5-7-16)15-10-19(27-12-15)14-8-9-26-11-14/h1-12H,(H,24,25)
InChIKeyLOFGHTSTMGFTCK-UHFFFAOYSA-N
MW381.40 g/mol
LogP6.21
Rot. Bonds4

About 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide

2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 24875778) has the molecular formula C21H13F2NO2S and a molecular weight of 381.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID24875778
Molecular FormulaC21H13F2NO2S
Molecular Weight381.40 g/mol
Exact Mass381.06
IUPAC Name2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccoc3)c2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H13F2NO2S/c22-17-2-1-3-18(23)20(17)21(25)24-16-6-4-13(5-7-16)15-10-19(27-12-15)14-8-9-26-11-14/h1-12H,(H,24,25)
InChIKeyLOFGHTSTMGFTCK-UHFFFAOYSA-N
XLogP6.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide 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 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide (CID 24875778) is 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(-c3ccoc3)c2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is LOFGHTSTMGFTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NO2S/c22-17-2-1-3-18(23)20(17)21(25)24-16-6-4-13(5-7-16)15-10-19(27-12-15)14-8-9-26-11-14/h1-12H,(H,24,25).
What are the key properties of 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide has a molecular weight of 381.40 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[5-(furan-3-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 24875778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).