3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C19H21IN2O2 — CID 27784015

IUPAC3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(I)c2)c(C)c1
InChIInChI=1S/C19H21IN2O2/c1-12-8-13(2)18(14(3)9-12)21-17(23)11-22(4)19(24)15-6-5-7-16(20)10-15/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyONIBOCGVZASSLE-UHFFFAOYSA-N
MW436.29 g/mol
LogP3.93
Rot. Bonds4

About 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 27784015) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID27784015
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC Name3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(I)c2)c(C)c1
InChIInChI=1S/C19H21IN2O2/c1-12-8-13(2)18(14(3)9-12)21-17(23)11-22(4)19(24)15-6-5-7-16(20)10-15/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyONIBOCGVZASSLE-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 53.93
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-(2,4,6-trimethylanilino)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

3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate
CID 27784180
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 27784015) is 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(I)c2)c(C)c1.
What is the InChIKey of 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is ONIBOCGVZASSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c1-12-8-13(2)18(14(3)9-12)21-17(23)11-22(4)19(24)15-6-5-7-16(20)10-15/h5-10H,11H2,1-4H3,(H,21,23).
What are the key properties of 3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 436.29 g/mol, XLogP of 3.93, 4 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-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 27784015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).