2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide

C13H19IN2O — CID 113265693

IUPAC2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1cccc(C)c1I
InChIInChI=1S/C13H19IN2O/c1-9(7-15-3)8-16-13(17)11-6-4-5-10(2)12(11)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyFBYYPBAXSQAHGI-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.18
Rot. Bonds5

About 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide

2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide (PubChem CID 113265693) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
PubChem CID113265693
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1cccc(C)c1I
InChIInChI=1S/C13H19IN2O/c1-9(7-15-3)8-16-13(17)11-6-4-5-10(2)12(11)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyFBYYPBAXSQAHGI-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.18
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

3-methyl-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81478230
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113282528
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
3-methyl-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 81479287
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide (CID 113265693) is 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide is CNCC(C)CNC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The InChIKey is FBYYPBAXSQAHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-9(7-15-3)8-16-13(17)11-6-4-5-10(2)12(11)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide has a molecular weight of 346.21 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide is sourced from PubChem (CID 113265693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).