3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H13IN2O2 — CID 47315731

IUPAC3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H13IN2O2/c1-7(10(15)13-2)14-11(16)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyBTJQHCVAZSUDMH-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.16
Rot. Bonds3

About 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 47315731) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID47315731
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H13IN2O2/c1-7(10(15)13-2)14-11(16)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyBTJQHCVAZSUDMH-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315821
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 47315731) is 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is BTJQHCVAZSUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c1-7(10(15)13-2)14-11(16)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 332.14 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 47315731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).