N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide

C12H17IN2O — CID 62836927

IUPACN-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C12H17IN2O/c1-8-7-9(13)5-6-10(8)15-11(16)12(2,3)14-4/h5-7,14H,1-4H3,(H,15,16)
InChIKeyFBDXZJMIDUMJOK-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.54
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide

N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62836927) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62836927
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC NameN-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C12H17IN2O/c1-8-7-9(13)5-6-10(8)15-11(16)12(2,3)14-4/h5-7,14H,1-4H3,(H,15,16)
InChIKeyFBDXZJMIDUMJOK-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide (CID 62836927) is N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is FBDXZJMIDUMJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-8-7-9(13)5-6-10(8)15-11(16)12(2,3)14-4/h5-7,14H,1-4H3,(H,15,16).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide?
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 332.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62836927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).