3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

C13H16ClIN2O3 — CID 103734742

IUPAC3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O3/c1-17(8-12(18)16-5-6-20-2)13(19)9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPFWWLAQCJMPCNK-UHFFFAOYSA-N
MW410.64 g/mol
LogP1.78
Rot. Bonds6

About 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 103734742) has the molecular formula C13H16ClIN2O3 and a molecular weight of 410.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID103734742
Molecular FormulaC13H16ClIN2O3
Molecular Weight410.64 g/mol
Exact Mass409.99
IUPAC Name3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O3/c1-17(8-12(18)16-5-6-20-2)13(19)9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPFWWLAQCJMPCNK-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763536
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 30872480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (CID 103734742) is 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is COCCNC(=O)CN(C)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is PFWWLAQCJMPCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O3/c1-17(8-12(18)16-5-6-20-2)13(19)9-3-4-11(15)10(14)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 410.64 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 103734742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).