3-[iodo(methyl)amino]-N-methylbenzamide

C9H11IN2O — CID 146943364

IUPAC3-[iodo(methyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N(C)I)c1
InChIInChI=1S/C9H11IN2O/c1-11-9(13)7-4-3-5-8(6-7)12(2)10/h3-6H,1-2H3,(H,11,13)
InChIKeyAHHXBZGYLJEAGD-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.83
Rot. Bonds2

About 3-[iodo(methyl)amino]-N-methylbenzamide

3-[iodo(methyl)amino]-N-methylbenzamide (PubChem CID 146943364) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 3-[iodo(methyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[iodo(methyl)amino]-N-methylbenzamide
PubChem CID146943364
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name3-[iodo(methyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N(C)I)c1
InChIInChI=1S/C9H11IN2O/c1-11-9(13)7-4-3-5-8(6-7)12(2)10/h3-6H,1-2H3,(H,11,13)
InChIKeyAHHXBZGYLJEAGD-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[methyl(sulfanyl)amino]benzamide
CID 175836337
N-methylbenzamide
CID 11954
N-methyl-3-nitrosobenzamide
CID 89195541
3-ethyl-N-methylbenzamide
CID 59115297
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848

Frequently Asked Questions

What is the IUPAC name of 3-[iodo(methyl)amino]-N-methylbenzamide?
The IUPAC name of 3-[iodo(methyl)amino]-N-methylbenzamide (CID 146943364) is 3-[iodo(methyl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-[iodo(methyl)amino]-N-methylbenzamide?
The canonical SMILES for 3-[iodo(methyl)amino]-N-methylbenzamide is CNC(=O)c1cccc(N(C)I)c1.
What is the InChIKey of 3-[iodo(methyl)amino]-N-methylbenzamide?
The InChIKey is AHHXBZGYLJEAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-11-9(13)7-4-3-5-8(6-7)12(2)10/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-[iodo(methyl)amino]-N-methylbenzamide?
3-[iodo(methyl)amino]-N-methylbenzamide has a molecular weight of 290.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[iodo(methyl)amino]-N-methylbenzamide is sourced from PubChem (CID 146943364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).