2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide

C20H19NO2 — CID 16650715

IUPAC2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C20H19NO2/c1-13-4-8-16(9-5-13)19-12-18(15(3)23-19)20(22)21-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,21,22)
InChIKeyTUQXNRZOLZAJEP-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.12
Rot. Bonds3

About 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide

2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide (PubChem CID 16650715) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
PubChem CID16650715
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C20H19NO2/c1-13-4-8-16(9-5-13)19-12-18(15(3)23-19)20(22)21-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,21,22)
InChIKeyTUQXNRZOLZAJEP-UHFFFAOYSA-N
XLogP5.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 16651497
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
2-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
CID 2794742
[4-[[5-(4-bromophenyl)-2-methylfuran-3-carbonyl]amino]phenyl] thiocyanate
CID 16651512
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide (CID 16650715) is 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1.
What is the InChIKey of 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide?
The InChIKey is TUQXNRZOLZAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-4-8-16(9-5-13)19-12-18(15(3)23-19)20(22)21-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,21,22).
What are the key properties of 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide?
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 16650715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).