3-(125I)iodo-N-propan-2-yl(125I)benzamide

C10H12INO — CID 177469648

IUPAC3-(125I)iodo-N-propan-2-yl(125I)benzamide
SMILESCC(C)NC(=O)c1cccc([125I])c1
InChIInChI=1S/C10H12INO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)/i11-2
InChIKeyXVCMWPTXZWPAGY-GQCOAOBCSA-N
MW287.12 g/mol
LogP2.43
Rot. Bonds2

About 3-(125I)iodo-N-propan-2-yl(125I)benzamide

3-(125I)iodo-N-propan-2-yl(125I)benzamide (PubChem CID 177469648) has the molecular formula C10H12INO and a molecular weight of 287.12 g/mol. Its IUPAC name is 3-(125I)iodo-N-propan-2-yl(125I)benzamide.

Molecular Properties

Compound Name3-(125I)iodo-N-propan-2-yl(125I)benzamide
PubChem CID177469648
Molecular FormulaC10H12INO
Molecular Weight287.12 g/mol
Exact Mass287.00
IUPAC Name3-(125I)iodo-N-propan-2-yl(125I)benzamide
SMILESCC(C)NC(=O)c1cccc([125I])c1
InChIInChI=1S/C10H12INO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)/i11-2
InChIKeyXVCMWPTXZWPAGY-GQCOAOBCSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-propan-2-ylbenzamide
CID 669184
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
CID 66615112
CID 66615112
CID 68891597
CID 68891597
N-propan-2-yl-3-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide
CID 165404047
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628

Frequently Asked Questions

What is the IUPAC name of 3-(125I)iodo-N-propan-2-yl(125I)benzamide?
The IUPAC name of 3-(125I)iodo-N-propan-2-yl(125I)benzamide (CID 177469648) is 3-(125I)iodo-N-propan-2-yl(125I)benzamide.
What is the SMILES notation for 3-(125I)iodo-N-propan-2-yl(125I)benzamide?
The canonical SMILES for 3-(125I)iodo-N-propan-2-yl(125I)benzamide is CC(C)NC(=O)c1cccc([125I])c1.
What is the InChIKey of 3-(125I)iodo-N-propan-2-yl(125I)benzamide?
The InChIKey is XVCMWPTXZWPAGY-GQCOAOBCSA-N. The full InChI is InChI=1S/C10H12INO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)/i11-2.
What are the key properties of 3-(125I)iodo-N-propan-2-yl(125I)benzamide?
3-(125I)iodo-N-propan-2-yl(125I)benzamide has a molecular weight of 287.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(125I)iodo-N-propan-2-yl(125I)benzamide is sourced from PubChem (CID 177469648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).