N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide

C22H23FN2O2 — CID 96565195

IUPACN-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(NCc2ccc(-c3cccc(F)c3C)o2)cc1C
InChIInChI=1S/C22H23FN2O2/c1-13-10-17(11-14(2)22(13)25-16(4)26)24-12-18-8-9-21(27-18)19-6-5-7-20(23)15(19)3/h5-11,24H,12H2,1-4H3,(H,25,26)
InChIKeyWEDGLBNDWBYKLP-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.58
Rot. Bonds5

About N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide

N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide (PubChem CID 96565195) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide
PubChem CID96565195
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(NCc2ccc(-c3cccc(F)c3C)o2)cc1C
InChIInChI=1S/C22H23FN2O2/c1-13-10-17(11-14(2)22(13)25-16(4)26)24-12-18-8-9-21(27-18)19-6-5-7-20(23)15(19)3/h5-11,24H,12H2,1-4H3,(H,25,26)
InChIKeyWEDGLBNDWBYKLP-UHFFFAOYSA-N
XLogP5.58
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide (CID 96565195) is N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide is CC(=O)Nc1c(C)cc(NCc2ccc(-c3cccc(F)c3C)o2)cc1C.
What is the InChIKey of N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide?
The InChIKey is WEDGLBNDWBYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-13-10-17(11-14(2)22(13)25-16(4)26)24-12-18-8-9-21(27-18)19-6-5-7-20(23)15(19)3/h5-11,24H,12H2,1-4H3,(H,25,26).
What are the key properties of N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide?
N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 96565195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).