4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide

C20H20N2O2 — CID 166633606

IUPAC4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide
SMILESCc1cccc(C)c1-c1ccc(CNc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C20H20N2O2/c1-13-4-3-5-14(2)19(13)18-11-10-17(24-18)12-22-16-8-6-15(7-9-16)20(21)23/h3-11,22H,12H2,1-2H3,(H2,21,23)
InChIKeyCNZQWWSLEXQSHK-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.27
Rot. Bonds5

About 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide

4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide (PubChem CID 166633606) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide
PubChem CID166633606
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide
SMILESCc1cccc(C)c1-c1ccc(CNc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C20H20N2O2/c1-13-4-3-5-14(2)19(13)18-11-10-17(24-18)12-22-16-8-6-15(7-9-16)20(21)23/h3-11,22H,12H2,1-2H3,(H2,21,23)
InChIKeyCNZQWWSLEXQSHK-UHFFFAOYSA-N
XLogP4.27
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide?
The IUPAC name of 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide (CID 166633606) is 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide.
What is the SMILES notation for 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide?
The canonical SMILES for 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide is Cc1cccc(C)c1-c1ccc(CNc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide?
The InChIKey is CNZQWWSLEXQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-4-3-5-14(2)19(13)18-11-10-17(24-18)12-22-16-8-6-15(7-9-16)20(21)23/h3-11,22H,12H2,1-2H3,(H2,21,23).
What are the key properties of 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide?
4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide has a molecular weight of 320.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-dimethylphenyl)furan-2-yl]methylamino]benzamide is sourced from PubChem (CID 166633606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).