2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide

C18H26INO2 — CID 11774347

IUPAC2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2OC(C)(C)C)c(I)c1
InChIInChI=1S/C18H26INO2/c1-12-9-10-13(14(19)11-12)17(21)20-15-7-5-6-8-16(15)22-18(2,3)4/h9-11,15-16H,5-8H2,1-4H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyHAMGZSVTVXMVKR-HZPDHXFCSA-N
MW415.32 g/mol
LogP4.46
Rot. Bonds3

About 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide

2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide (PubChem CID 11774347) has the molecular formula C18H26INO2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide
PubChem CID11774347
Molecular FormulaC18H26INO2
Molecular Weight415.32 g/mol
Exact Mass415.10
IUPAC Name2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2OC(C)(C)C)c(I)c1
InChIInChI=1S/C18H26INO2/c1-12-9-10-13(14(19)11-12)17(21)20-15-7-5-6-8-16(15)22-18(2,3)4/h9-11,15-16H,5-8H2,1-4H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyHAMGZSVTVXMVKR-HZPDHXFCSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.46
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

N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
CID 100528576
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide?
The IUPAC name of 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide (CID 11774347) is 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide.
What is the SMILES notation for 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide?
The canonical SMILES for 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide is Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2OC(C)(C)C)c(I)c1.
What is the InChIKey of 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide?
The InChIKey is HAMGZSVTVXMVKR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26INO2/c1-12-9-10-13(14(19)11-12)17(21)20-15-7-5-6-8-16(15)22-18(2,3)4/h9-11,15-16H,5-8H2,1-4H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide?
2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide has a molecular weight of 415.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide is sourced from PubChem (CID 11774347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).