N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide

C25H17ClINO4 — CID 19417251

IUPACN-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C25H17ClINO4/c26-17-6-12-22(21(14-17)24(29)16-4-2-1-3-5-16)28-25(30)23-13-11-20(32-23)15-31-19-9-7-18(27)8-10-19/h1-14H,15H2,(H,28,30)
InChIKeyGVWPFUGXQCFALQ-UHFFFAOYSA-N
MW557.77 g/mol
LogP6.60
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (PubChem CID 19417251) has the molecular formula C25H17ClINO4 and a molecular weight of 557.77 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
PubChem CID19417251
Molecular FormulaC25H17ClINO4
Molecular Weight557.77 g/mol
Exact Mass556.99
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C25H17ClINO4/c26-17-6-12-22(21(14-17)24(29)16-4-2-1-3-5-16)28-25(30)23-13-11-20(32-23)15-31-19-9-7-18(27)8-10-19/h1-14H,15H2,(H,28,30)
InChIKeyGVWPFUGXQCFALQ-UHFFFAOYSA-N
XLogP6.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.77
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454982
N-(2-benzoyl-4-chlorophenyl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461569
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (CID 19417251) is N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The InChIKey is GVWPFUGXQCFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClINO4/c26-17-6-12-22(21(14-17)24(29)16-4-2-1-3-5-16)28-25(30)23-13-11-20(32-23)15-31-19-9-7-18(27)8-10-19/h1-14H,15H2,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide has a molecular weight of 557.77 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19417251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).