5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

C19H14ClIN2O2 — CID 55691116

IUPAC5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C19H14ClIN2O2/c20-13-7-8-18(21)17(10-13)19(24)23-14-5-3-6-16(11-14)25-12-15-4-1-2-9-22-15/h1-11H,12H2,(H,23,24)
InChIKeyQXAISZDRHFGVTG-UHFFFAOYSA-N
MW464.69 g/mol
LogP5.17
Rot. Bonds5

About 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 55691116) has the molecular formula C19H14ClIN2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
PubChem CID55691116
Molecular FormulaC19H14ClIN2O2
Molecular Weight464.69 g/mol
Exact Mass463.98
IUPAC Name5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C19H14ClIN2O2/c20-13-7-8-18(21)17(10-13)19(24)23-14-5-3-6-16(11-14)25-12-15-4-1-2-9-22-15/h1-11H,12H2,(H,23,24)
InChIKeyQXAISZDRHFGVTG-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
CID 55851405
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 38669121
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38667988
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (CID 55691116) is 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The InChIKey is QXAISZDRHFGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClIN2O2/c20-13-7-8-18(21)17(10-13)19(24)23-14-5-3-6-16(11-14)25-12-15-4-1-2-9-22-15/h1-11H,12H2,(H,23,24).
What are the key properties of 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 464.69 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 55691116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).