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

C18H14INO2 — CID 1340506

IUPACN-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H14INO2/c1-12-16(11-17(22-12)13-5-3-2-4-6-13)18(21)20-15-9-7-14(19)8-10-15/h2-11H,1H3,(H,20,21)
InChIKeyFCXSZVXSCJDPDE-UHFFFAOYSA-N
MW403.22 g/mol
LogP5.11
Rot. Bonds3

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

N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 1340506) has the molecular formula C18H14INO2 and a molecular weight of 403.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID1340506
Molecular FormulaC18H14INO2
Molecular Weight403.22 g/mol
Exact Mass403.01
IUPAC NameN-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H14INO2/c1-12-16(11-17(22-12)13-5-3-2-4-6-13)18(21)20-15-9-7-14(19)8-10-15/h2-11H,1H3,(H,20,21)
InChIKeyFCXSZVXSCJDPDE-UHFFFAOYSA-N
XLogP5.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.22
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560
2-methyl-5-phenyl-N-(3-propoxyphenyl)furan-3-carboxamide
CID 2864448
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
CID 2742902
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide (CID 1340506) is N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is FCXSZVXSCJDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO2/c1-12-16(11-17(22-12)13-5-3-2-4-6-13)18(21)20-15-9-7-14(19)8-10-15/h2-11H,1H3,(H,20,21).
What are the key properties of N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide?
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 403.22 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 1340506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).