2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide

C17H16I2N2O2 — CID 11318600

IUPAC2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1ccccc1I)C(=O)c1ccccc1I
InChIInChI=1S/C17H16I2N2O2/c1-21(17(23)13-7-3-5-9-15(13)19)11-16(22)20-10-12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyBXSYIZQLRKNGCW-UHFFFAOYSA-N
MW534.14 g/mol
LogP3.28
Rot. Bonds5

About 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide

2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 11318600) has the molecular formula C17H16I2N2O2 and a molecular weight of 534.14 g/mol. Its IUPAC name is 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID11318600
Molecular FormulaC17H16I2N2O2
Molecular Weight534.14 g/mol
Exact Mass533.93
IUPAC Name2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1ccccc1I)C(=O)c1ccccc1I
InChIInChI=1S/C17H16I2N2O2/c1-21(17(23)13-7-3-5-9-15(13)19)11-16(22)20-10-12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyBXSYIZQLRKNGCW-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.14
LogP ≤ 53.28
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

N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
2-[2-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]phenyl]acetic acid
CID 81318110
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
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N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
N-but-2-ynyl-2-iodo-N-methylbenzamide
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CID 43833989
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
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2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide (CID 11318600) is 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCc1ccccc1I)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is BXSYIZQLRKNGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16I2N2O2/c1-21(17(23)13-7-3-5-9-15(13)19)11-16(22)20-10-12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide?
2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 534.14 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 11318600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).