4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

C18H19IN2O3 — CID 71864680

IUPAC4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(I)c(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H19IN2O3/c1-12-4-9-15(19)16(10-12)24-11-17(22)20-14-7-5-13(6-8-14)18(23)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyPZADTCRCPCTVJS-UHFFFAOYSA-N
MW438.27 g/mol
LogP3.32
Rot. Bonds5

About 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 71864680) has the molecular formula C18H19IN2O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID71864680
Molecular FormulaC18H19IN2O3
Molecular Weight438.27 g/mol
Exact Mass438.04
IUPAC Name4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(I)c(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H19IN2O3/c1-12-4-9-15(19)16(10-12)24-11-17(22)20-14-7-5-13(6-8-14)18(23)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyPZADTCRCPCTVJS-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 53.32
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-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771946
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7764243
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 71864680) is 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is Cc1ccc(I)c(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is PZADTCRCPCTVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3/c1-12-4-9-15(19)16(10-12)24-11-17(22)20-14-7-5-13(6-8-14)18(23)21(2)3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 438.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 71864680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).