4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide

C17H16ClIN2O3 — CID 55670012

IUPAC4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)COc2ccc(I)cc2)c1
InChIInChI=1S/C17H16ClIN2O3/c1-21(2)17(23)11-3-8-14(18)15(9-11)20-16(22)10-24-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyKUOVAEBQNALOEO-UHFFFAOYSA-N
MW458.68 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide

4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55670012) has the molecular formula C17H16ClIN2O3 and a molecular weight of 458.68 g/mol. Its IUPAC name is 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID55670012
Molecular FormulaC17H16ClIN2O3
Molecular Weight458.68 g/mol
Exact Mass457.99
IUPAC Name4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)COc2ccc(I)cc2)c1
InChIInChI=1S/C17H16ClIN2O3/c1-21(2)17(23)11-3-8-14(18)15(9-11)20-16(22)10-24-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyKUOVAEBQNALOEO-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.68
LogP ≤ 53.66
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-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
CID 38955675
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60537519
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
CID 55893966
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 1179092
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 55670012) is 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)COc2ccc(I)cc2)c1.
What is the InChIKey of 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is KUOVAEBQNALOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O3/c1-21(2)17(23)11-3-8-14(18)15(9-11)20-16(22)10-24-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 458.68 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55670012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).