2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide

C15H20INO2 — CID 103606106

IUPAC2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(I)ccc2O)CC1
InChIInChI=1S/C15H20INO2/c1-10-3-6-12(7-4-10)17(2)15(19)13-9-11(16)5-8-14(13)18/h5,8-10,12,18H,3-4,6-7H2,1-2H3
InChIKeyGVXUPXRYEAWNJJ-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.65
Rot. Bonds2

About 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide

2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 103606106) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
PubChem CID103606106
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(I)ccc2O)CC1
InChIInChI=1S/C15H20INO2/c1-10-3-6-12(7-4-10)17(2)15(19)13-9-11(16)5-8-14(13)18/h5,8-10,12,18H,3-4,6-7H2,1-2H3
InChIKeyGVXUPXRYEAWNJJ-UHFFFAOYSA-N
XLogP3.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.65
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

2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 114027530
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
CID 113258754
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
N-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107725203
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721216
(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103524349
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide (CID 103606106) is 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide is CC1CCC(N(C)C(=O)c2cc(I)ccc2O)CC1.
What is the InChIKey of 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is GVXUPXRYEAWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-10-3-6-12(7-4-10)17(2)15(19)13-9-11(16)5-8-14(13)18/h5,8-10,12,18H,3-4,6-7H2,1-2H3.
What are the key properties of 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide?
2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 373.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 103606106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).