4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide

C20H16ClIN2O2 — CID 170054875

IUPAC4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
SMILESCc1cc(-c2cc(COc3ccc(Cl)cc3)ccn2)ccc1C(=O)NI
InChIInChI=1S/C20H16ClIN2O2/c1-13-10-15(2-7-18(13)20(25)24-22)19-11-14(8-9-23-19)12-26-17-5-3-16(21)4-6-17/h2-11H,12H2,1H3,(H,24,25)
InChIKeyJZKZBFJYJBYVSW-UHFFFAOYSA-N
MW478.72 g/mol
LogP5.37
Rot. Bonds5

About 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide

4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide (PubChem CID 170054875) has the molecular formula C20H16ClIN2O2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
PubChem CID170054875
Molecular FormulaC20H16ClIN2O2
Molecular Weight478.72 g/mol
Exact Mass477.99
IUPAC Name4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
SMILESCc1cc(-c2cc(COc3ccc(Cl)cc3)ccn2)ccc1C(=O)NI
InChIInChI=1S/C20H16ClIN2O2/c1-13-10-15(2-7-18(13)20(25)24-22)19-11-14(8-9-23-19)12-26-17-5-3-16(21)4-6-17/h2-11H,12H2,1H3,(H,24,25)
InChIKeyJZKZBFJYJBYVSW-UHFFFAOYSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793626
2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
CID 166793604
4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
CID 170055033
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793682
4-[4-[[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]oxymethyl]-2-pyridinyl]-2-methylbenzohydrazide
CID 170055048
4-[2-[[4-(1-fluoro-1-iodoethyl)phenoxy]methyl]-4-pyridinyl]-N,2-dimethylbenzamide
CID 170055109
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166100431
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide?
The IUPAC name of 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide (CID 170054875) is 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide.
What is the SMILES notation for 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide?
The canonical SMILES for 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide is Cc1cc(-c2cc(COc3ccc(Cl)cc3)ccn2)ccc1C(=O)NI.
What is the InChIKey of 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide?
The InChIKey is JZKZBFJYJBYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClIN2O2/c1-13-10-15(2-7-18(13)20(25)24-22)19-11-14(8-9-23-19)12-26-17-5-3-16(21)4-6-17/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide?
4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide has a molecular weight of 478.72 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide is sourced from PubChem (CID 170054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).