3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H17IN2O2 — CID 7972299

IUPAC3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1cccc(I)c1
InChIInChI=1S/C13H17IN2O2/c1-3-7-15-12(17)9-16(2)13(18)10-5-4-6-11(14)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,15,17)
InChIKeyFATNZVIEXOAMDS-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.89
Rot. Bonds5

About 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 7972299) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID7972299
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1cccc(I)c1
InChIInChI=1S/C13H17IN2O2/c1-3-7-15-12(17)9-16(2)13(18)10-5-4-6-11(14)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,15,17)
InChIKeyFATNZVIEXOAMDS-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide 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-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 7972299) is 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CN(C)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is FATNZVIEXOAMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-3-7-15-12(17)9-16(2)13(18)10-5-4-6-11(14)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 360.20 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 7972299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).