5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide

C21H21NO2 — CID 56675824

IUPAC5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)Nc3c(C)cccc3C)co2)c1
InChIInChI=1S/C21H21NO2/c1-13-8-9-14(2)18(10-13)19-11-17(12-24-19)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
InChIKeySGAQPVLPJPQVOB-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.43
Rot. Bonds3

About 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide

5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide (PubChem CID 56675824) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide
PubChem CID56675824
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)Nc3c(C)cccc3C)co2)c1
InChIInChI=1S/C21H21NO2/c1-13-8-9-14(2)18(10-13)19-11-17(12-24-19)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
InChIKeySGAQPVLPJPQVOB-UHFFFAOYSA-N
XLogP5.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide (CID 56675824) is 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)Nc3c(C)cccc3C)co2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide?
The InChIKey is SGAQPVLPJPQVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-8-9-14(2)18(10-13)19-11-17(12-24-19)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23).
What are the key properties of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide?
5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan-3-carboxamide is sourced from PubChem (CID 56675824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).