2-iodo-N-propan-2-ylbenzamide

C10H12INO — CID 615861

IUPAC2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1I
InChIInChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
InChIKeyPSGIDUPRPSJZRV-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.43
Rot. Bonds2

About 2-iodo-N-propan-2-ylbenzamide

2-iodo-N-propan-2-ylbenzamide (PubChem CID 615861) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-iodo-N-propan-2-ylbenzamide
PubChem CID615861
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1I
InChIInChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
InChIKeyPSGIDUPRPSJZRV-UHFFFAOYSA-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 ≤ 500289.12
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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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-propan-2-ylbenzamide?
The IUPAC name of 2-iodo-N-propan-2-ylbenzamide (CID 615861) is 2-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for 2-iodo-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-propan-2-ylbenzamide?
The InChIKey is PSGIDUPRPSJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-iodo-N-propan-2-ylbenzamide?
2-iodo-N-propan-2-ylbenzamide has a molecular weight of 289.12 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 2-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 615861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).