2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide

C17H17IN2O2 — CID 2688094

IUPAC2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IN2O2/c1-12-6-8-13(9-7-12)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyNDCIKJKWNMFKMX-UHFFFAOYSA-N
MW408.24 g/mol
LogP2.65
Rot. Bonds5

About 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide

2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 2688094) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID2688094
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IN2O2/c1-12-6-8-13(9-7-12)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyNDCIKJKWNMFKMX-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358
N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
CID 52693589
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 2688094) is 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1ccc(CNC(=O)CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is NDCIKJKWNMFKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-12-6-8-13(9-7-12)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 408.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2688094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).