3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide

C20H18F2N2O2 — CID 99701090

IUPAC3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(-c3c(F)cccc3F)o2)c1C
InChIInChI=1S/C20H18F2N2O2/c1-12-14(20(25)23-2)5-3-8-17(12)24-11-13-9-10-18(26-13)19-15(21)6-4-7-16(19)22/h3-10,24H,11H2,1-2H3,(H,23,25)
InChIKeyTVIHEURORPTVMX-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.50
Rot. Bonds5

About 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide

3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide (PubChem CID 99701090) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide
PubChem CID99701090
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(-c3c(F)cccc3F)o2)c1C
InChIInChI=1S/C20H18F2N2O2/c1-12-14(20(25)23-2)5-3-8-17(12)24-11-13-9-10-18(26-13)19-15(21)6-4-7-16(19)22/h3-10,24H,11H2,1-2H3,(H,23,25)
InChIKeyTVIHEURORPTVMX-UHFFFAOYSA-N
XLogP4.50
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide (CID 99701090) is 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCc2ccc(-c3c(F)cccc3F)o2)c1C.
What is the InChIKey of 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide?
The InChIKey is TVIHEURORPTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-12-14(20(25)23-2)5-3-8-17(12)24-11-13-9-10-18(26-13)19-15(21)6-4-7-16(19)22/h3-10,24H,11H2,1-2H3,(H,23,25).
What are the key properties of 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide?
3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide has a molecular weight of 356.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,6-difluorophenyl)furan-2-yl]methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 99701090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).