N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide

C19H16FNO2 — CID 3872686

IUPACN-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1C
InChIInChI=1S/C19H16FNO2/c1-12-7-8-14(11-13(12)2)21-19(22)18-10-9-17(23-18)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,21,22)
InChIKeyLKKBWJPQPUOPKN-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.95
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 3872686) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID3872686
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC NameN-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1C
InChIInChI=1S/C19H16FNO2/c1-12-7-8-14(11-13(12)2)21-19(22)18-10-9-17(23-18)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,21,22)
InChIKeyLKKBWJPQPUOPKN-UHFFFAOYSA-N
XLogP4.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-(3-carbamoyl-4-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 46400813
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-(5-acetamido-2-methoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 17478266
5-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 9429381
N-[4-(difluoromethoxy)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9427796
5-(2-fluorophenyl)-N-[2-methyl-5-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 94836453
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 46570175

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 3872686) is N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is LKKBWJPQPUOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-12-7-8-14(11-13(12)2)21-19(22)18-10-9-17(23-18)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3872686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).