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

C20H18INO2 — CID 4309569

IUPAC5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3C)o2)cc1C
InChIInChI=1S/C20H18INO2/c1-12-4-5-15(10-13(12)2)18-8-9-19(24-18)20(23)22-17-7-6-16(21)11-14(17)3/h4-11H,1-3H3,(H,22,23)
InChIKeyYJTPPWQZTPYPNJ-UHFFFAOYSA-N
MW431.27 g/mol
LogP5.73
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide (PubChem CID 4309569) has the molecular formula C20H18INO2 and a molecular weight of 431.27 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
PubChem CID4309569
Molecular FormulaC20H18INO2
Molecular Weight431.27 g/mol
Exact Mass431.04
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3C)o2)cc1C
InChIInChI=1S/C20H18INO2/c1-12-4-5-15(10-13(12)2)18-8-9-19(24-18)20(23)22-17-7-6-16(21)11-14(17)3/h4-11H,1-3H3,(H,22,23)
InChIKeyYJTPPWQZTPYPNJ-UHFFFAOYSA-N
XLogP5.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.27
LogP ≤ 55.73
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-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 4287180
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
5-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)furan-2-carboxamide
CID 2232193

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide (CID 4309569) is 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3C)o2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
The InChIKey is YJTPPWQZTPYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18INO2/c1-12-4-5-15(10-13(12)2)18-8-9-19(24-18)20(23)22-17-7-6-16(21)11-14(17)3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).