2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide

C19H15ClINO3 — CID 28668065

IUPAC2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C19H15ClINO3/c1-11-2-3-12(18-7-5-14(10-23)25-18)8-17(11)22-19(24)15-9-13(21)4-6-16(15)20/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyNYZRAPHUQMSCRX-UHFFFAOYSA-N
MW467.69 g/mol
LogP5.26
Rot. Bonds4

About 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide

2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide (PubChem CID 28668065) has the molecular formula C19H15ClINO3 and a molecular weight of 467.69 g/mol. Its IUPAC name is 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
PubChem CID28668065
Molecular FormulaC19H15ClINO3
Molecular Weight467.69 g/mol
Exact Mass466.98
IUPAC Name2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C19H15ClINO3/c1-11-2-3-12(18-7-5-14(10-23)25-18)8-17(11)22-19(24)15-9-13(21)4-6-16(15)20/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyNYZRAPHUQMSCRX-UHFFFAOYSA-N
XLogP5.26
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.69
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]-5-iodobenzamide
CID 43866285
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-4-nitrobenzamide
CID 28671572
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-nitrobenzamide
CID 28671110
4-chloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28687208
2-(2-chlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]acetamide
CID 28676829
3,5-dichloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 28688126
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide?
The IUPAC name of 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide (CID 28668065) is 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide is Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide?
The InChIKey is NYZRAPHUQMSCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClINO3/c1-11-2-3-12(18-7-5-14(10-23)25-18)8-17(11)22-19(24)15-9-13(21)4-6-16(15)20/h2-9,23H,10H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide?
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide has a molecular weight of 467.69 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide is sourced from PubChem (CID 28668065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).