2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide

C20H18F2N2O2 — CID 156786219

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(F)c1F
InChIInChI=1S/C20H18F2N2O2/c21-17-9-4-10-18(20(17)22)23-19(25)14-24(13-16-8-5-11-26-16)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,25)
InChIKeyXVHGYXJJMITBCI-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.20
Rot. Bonds7

About 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide (PubChem CID 156786219) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide
PubChem CID156786219
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(F)c1F
InChIInChI=1S/C20H18F2N2O2/c21-17-9-4-10-18(20(17)22)23-19(25)14-24(13-16-8-5-11-26-16)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,25)
InChIKeyXVHGYXJJMITBCI-UHFFFAOYSA-N
XLogP4.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide (CID 156786219) is 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide is O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cccc(F)c1F.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide?
The InChIKey is XVHGYXJJMITBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-17-9-4-10-18(20(17)22)23-19(25)14-24(13-16-8-5-11-26-16)12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,25).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 356.37 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 156786219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).