2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide

C13H18INO2 — CID 103708378

IUPAC2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cccc(C)c1I
InChIInChI=1S/C13H18INO2/c1-9-6-5-7-10(11(9)14)12(16)15-8-13(2,3)17-4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyYKPMVGXWJSGELT-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.75
Rot. Bonds4

About 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide

2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide (PubChem CID 103708378) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
PubChem CID103708378
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC Name2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cccc(C)c1I
InChIInChI=1S/C13H18INO2/c1-9-6-5-7-10(11(9)14)12(16)15-8-13(2,3)17-4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyYKPMVGXWJSGELT-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
CID 107034954
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429282
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
CID 118462789
3-(4-hydroxybut-1-ynyl)-N-(2-methoxy-2-methylpropyl)-2-methylbenzamide
CID 104764882
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 113230340
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide?
The IUPAC name of 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide (CID 103708378) is 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide.
What is the SMILES notation for 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide?
The canonical SMILES for 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide is COC(C)(C)CNC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide?
The InChIKey is YKPMVGXWJSGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-9-6-5-7-10(11(9)14)12(16)15-8-13(2,3)17-4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide?
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide is sourced from PubChem (CID 103708378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).