2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide

C23H18ClIN2O3 — CID 89385329

IUPAC2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2CI)cc1Oc1cc(C#N)ccc1Cl
InChIInChI=1S/C23H18ClIN2O3/c1-29-20-9-7-15(12-23(28)27-19-5-3-2-4-17(19)13-25)10-22(20)30-21-11-16(14-26)6-8-18(21)24/h2-11H,12-13H2,1H3,(H,27,28)
InChIKeyTZMJDAMDLDDRIU-UHFFFAOYSA-N
MW532.77 g/mol
LogP6.13
Rot. Bonds7

About 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide

2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide (PubChem CID 89385329) has the molecular formula C23H18ClIN2O3 and a molecular weight of 532.77 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide
PubChem CID89385329
Molecular FormulaC23H18ClIN2O3
Molecular Weight532.77 g/mol
Exact Mass532.01
IUPAC Name2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2CI)cc1Oc1cc(C#N)ccc1Cl
InChIInChI=1S/C23H18ClIN2O3/c1-29-20-9-7-15(12-23(28)27-19-5-3-2-4-17(19)13-25)10-22(20)30-21-11-16(14-26)6-8-18(21)24/h2-11H,12-13H2,1H3,(H,27,28)
InChIKeyTZMJDAMDLDDRIU-UHFFFAOYSA-N
XLogP6.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.77
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide 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

2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]-N-(2-chlorophenyl)acetamide
CID 21079684
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate
CID 58856155
2-[4-(3-chloro-5-cyanophenoxy)-3-methoxyphenyl]-N-[2-(chlorosulfamoyl)phenyl]acetamide
CID 87760016
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 24514263
N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867944
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
methyl 2-[4-[[2-[4-chloro-3-(3,5-dicyanophenoxy)phenyl]acetyl]amino]phenyl]acetate
CID 67480960
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide (CID 89385329) is 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccccc2CI)cc1Oc1cc(C#N)ccc1Cl.
What is the InChIKey of 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide?
The InChIKey is TZMJDAMDLDDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClIN2O3/c1-29-20-9-7-15(12-23(28)27-19-5-3-2-4-17(19)13-25)10-22(20)30-21-11-16(14-26)6-8-18(21)24/h2-11H,12-13H2,1H3,(H,27,28).
What are the key properties of 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide?
2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide has a molecular weight of 532.77 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-5-cyanophenoxy)-4-methoxyphenyl]-N-[2-(iodomethyl)phenyl]acetamide is sourced from PubChem (CID 89385329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).