4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

C21H19IN2O2 — CID 55901485

IUPAC4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)cc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C21H19IN2O2/c1-15(24-21(25)16-8-10-18(22)11-9-16)17-5-4-7-20(13-17)26-14-19-6-2-3-12-23-19/h2-13,15H,14H2,1H3,(H,24,25)
InChIKeyULKVGWGVMYLHBV-UHFFFAOYSA-N
MW458.30 g/mol
LogP4.76
Rot. Bonds6

About 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide

4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55901485) has the molecular formula C21H19IN2O2 and a molecular weight of 458.30 g/mol. Its IUPAC name is 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55901485
Molecular FormulaC21H19IN2O2
Molecular Weight458.30 g/mol
Exact Mass458.05
IUPAC Name4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)cc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C21H19IN2O2/c1-15(24-21(25)16-8-10-18(22)11-9-16)17-5-4-7-20(13-17)26-14-19-6-2-3-12-23-19/h2-13,15H,14H2,1H3,(H,24,25)
InChIKeyULKVGWGVMYLHBV-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 54.76
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

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
N-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
3-(methanesulfonamido)-4-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958660
4-methoxy-3-nitro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55902885
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
4-(2-cyanoethylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958532
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
3-(prop-2-enylsulfamoyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55958408
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide (CID 55901485) is 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(I)cc1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is ULKVGWGVMYLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN2O2/c1-15(24-21(25)16-8-10-18(22)11-9-16)17-5-4-7-20(13-17)26-14-19-6-2-3-12-23-19/h2-13,15H,14H2,1H3,(H,24,25).
What are the key properties of 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide?
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 458.30 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55901485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).