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

C18H19IN2O2 — CID 26713928

IUPAC2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccccc2I)c(C)c1
InChIInChI=1S/C18H19IN2O2/c1-11-8-12(2)17(13(3)9-11)21-16(22)10-20-18(23)14-6-4-5-7-15(14)19/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLVLBCGXGWOXZPH-UHFFFAOYSA-N
MW422.27 g/mol
LogP3.58
Rot. Bonds4

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

2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 26713928) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID26713928
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC Name2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccccc2I)c(C)c1
InChIInChI=1S/C18H19IN2O2/c1-11-8-12(2)17(13(3)9-11)21-16(22)10-20-18(23)14-6-4-5-7-15(14)19/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLVLBCGXGWOXZPH-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.58
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

2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55455739
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
CID 63112144
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2,3-dimethoxy-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713943
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
CID 5120738
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
CID 18283329
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 26713928) is 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2I)c(C)c1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is LVLBCGXGWOXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-11-8-12(2)17(13(3)9-11)21-16(22)10-20-18(23)14-6-4-5-7-15(14)19/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 422.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 26713928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).