2-iodo-N-(2-methylpentan-3-yl)benzamide

C13H18INO — CID 61465043

IUPAC2-iodo-N-(2-methylpentan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccccc1I)C(C)C
InChIInChI=1S/C13H18INO/c1-4-12(9(2)3)15-13(16)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3,(H,15,16)
InChIKeyLTEGGZUVVPMUKF-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.46
Rot. Bonds4

About 2-iodo-N-(2-methylpentan-3-yl)benzamide

2-iodo-N-(2-methylpentan-3-yl)benzamide (PubChem CID 61465043) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-iodo-N-(2-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methylpentan-3-yl)benzamide
PubChem CID61465043
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name2-iodo-N-(2-methylpentan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccccc1I)C(C)C
InChIInChI=1S/C13H18INO/c1-4-12(9(2)3)15-13(16)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3,(H,15,16)
InChIKeyLTEGGZUVVPMUKF-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.46
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-(2-methylpentan-3-yl)benzamide?
The IUPAC name of 2-iodo-N-(2-methylpentan-3-yl)benzamide (CID 61465043) is 2-iodo-N-(2-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methylpentan-3-yl)benzamide is CCC(NC(=O)c1ccccc1I)C(C)C.
What is the InChIKey of 2-iodo-N-(2-methylpentan-3-yl)benzamide?
The InChIKey is LTEGGZUVVPMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-4-12(9(2)3)15-13(16)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-iodo-N-(2-methylpentan-3-yl)benzamide?
2-iodo-N-(2-methylpentan-3-yl)benzamide has a molecular weight of 331.20 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methylpentan-3-yl)benzamide is sourced from PubChem (CID 61465043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).