N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide

C20H17NO3 — CID 16650627

IUPACN-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C20H17NO3/c1-13(22)15-8-10-17(11-9-15)21-20(23)18-12-19(24-14(18)2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,23)
InChIKeyYJBOKLRNRJRZJY-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.71
Rot. Bonds4

About N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide

N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 16650627) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID16650627
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC NameN-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C20H17NO3/c1-13(22)15-8-10-17(11-9-15)21-20(23)18-12-19(24-14(18)2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,23)
InChIKeyYJBOKLRNRJRZJY-UHFFFAOYSA-N
XLogP4.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560
N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide
CID 6492565
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
2-methyl-5-phenyl-N-(3-propoxyphenyl)furan-3-carboxamide
CID 2864448
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide (CID 16650627) is N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is YJBOKLRNRJRZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13(22)15-8-10-17(11-9-15)21-20(23)18-12-19(24-14(18)2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 16650627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).