5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

C20H16ClIN2O3 — CID 55881478

IUPAC5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C20H16ClIN2O3/c1-27-18-11-17(22)16(21)10-15(18)20(26)23-14-7-5-13(6-8-14)12-24-9-3-2-4-19(24)25/h2-11H,12H2,1H3,(H,23,26)
InChIKeyKYJDWIFDQLQPTR-UHFFFAOYSA-N
MW494.72 g/mol
LogP4.42
Rot. Bonds5

About 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (PubChem CID 55881478) has the molecular formula C20H16ClIN2O3 and a molecular weight of 494.72 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
PubChem CID55881478
Molecular FormulaC20H16ClIN2O3
Molecular Weight494.72 g/mol
Exact Mass493.99
IUPAC Name5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C20H16ClIN2O3/c1-27-18-11-17(22)16(21)10-15(18)20(26)23-14-7-5-13(6-8-14)12-24-9-3-2-4-19(24)25/h2-11H,12H2,1H3,(H,23,26)
InChIKeyKYJDWIFDQLQPTR-UHFFFAOYSA-N
XLogP4.42
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.72
LogP ≤ 54.42
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

2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881732
2-[(2-chlorophenyl)methoxy]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 60530434
4-methoxy-3-(methylsulfamoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55855260
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 52577352
5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55608636
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55767444
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55855136
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
2-(3,4-dichlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55859224

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (CID 55881478) is 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is COc1cc(I)c(Cl)cc1C(=O)Nc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The InChIKey is KYJDWIFDQLQPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClIN2O3/c1-27-18-11-17(22)16(21)10-15(18)20(26)23-14-7-5-13(6-8-14)12-24-9-3-2-4-19(24)25/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide has a molecular weight of 494.72 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is sourced from PubChem (CID 55881478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).