N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide

C16H15IN2O2 — CID 55637665

IUPACN-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C16H15IN2O2/c1-19(16(21)12-6-5-7-13(17)10-12)11-15(20)18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyDGJONWSLQXWMPO-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.00
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide

N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide (PubChem CID 55637665) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
PubChem CID55637665
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC NameN-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C16H15IN2O2/c1-19(16(21)12-6-5-7-13(17)10-12)11-15(20)18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyDGJONWSLQXWMPO-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide (CID 55637665) is N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide?
The InChIKey is DGJONWSLQXWMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-19(16(21)12-6-5-7-13(17)10-12)11-15(20)18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide?
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide has a molecular weight of 394.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide is sourced from PubChem (CID 55637665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).