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

C19H15ClINO2 — CID 3580369

IUPACN-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3Cl)o2)cc1C
InChIInChI=1S/C19H15ClINO2/c1-11-3-4-13(9-12(11)2)17-7-8-18(24-17)19(23)22-16-6-5-14(21)10-15(16)20/h3-10H,1-2H3,(H,22,23)
InChIKeyPJRGBQYWFWCEMG-UHFFFAOYSA-N
MW451.69 g/mol
LogP6.07
Rot. Bonds3

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

N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3580369) has the molecular formula C19H15ClINO2 and a molecular weight of 451.69 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID3580369
Molecular FormulaC19H15ClINO2
Molecular Weight451.69 g/mol
Exact Mass450.98
IUPAC NameN-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3Cl)o2)cc1C
InChIInChI=1S/C19H15ClINO2/c1-11-3-4-13(9-12(11)2)17-7-8-18(24-17)19(23)22-16-6-5-14(21)10-15(16)20/h3-10H,1-2H3,(H,22,23)
InChIKeyPJRGBQYWFWCEMG-UHFFFAOYSA-N
XLogP6.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.69
LogP ≤ 56.07
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

5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
5-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)furan-2-carboxamide
CID 2232193
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
5-(3-chloro-4-methylphenyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17317037
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 4287180

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3580369) is N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3Cl)o2)cc1C.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is PJRGBQYWFWCEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClINO2/c1-11-3-4-13(9-12(11)2)17-7-8-18(24-17)19(23)22-16-6-5-14(21)10-15(16)20/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 451.69 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3580369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).