N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide

C13H18INO2 — CID 103944788

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)CCO)c1I
InChIInChI=1S/C13H18INO2/c1-9-5-4-6-10(11(9)14)12(17)15-13(2,3)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyXKXBUDADZZXSJQ-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.49
Rot. Bonds4

About N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide

N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide (PubChem CID 103944788) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
PubChem CID103944788
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)CCO)c1I
InChIInChI=1S/C13H18INO2/c1-9-5-4-6-10(11(9)14)12(17)15-13(2,3)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyXKXBUDADZZXSJQ-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113356422
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid
CID 113352876
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-bromo-N-(4-bromo-2-methylbutan-2-yl)-3-methylbenzamide
CID 107984046
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754138
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide (CID 103944788) is N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NC(C)(C)CCO)c1I.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide?
The InChIKey is XKXBUDADZZXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-9-5-4-6-10(11(9)14)12(17)15-13(2,3)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103944788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).