2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide

C20H20I2N2O6 — CID 132919153

IUPAC2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1I(=O)=O)c1ccccc1I(=O)=O
InChIInChI=1S/C20H20I2N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKeySJBQMTRJVQMMFI-ROUUACIJSA-N
MW638.20 g/mol
LogP3.89
Rot. Bonds6

About 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide

2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide (PubChem CID 132919153) has the molecular formula C20H20I2N2O6 and a molecular weight of 638.20 g/mol. Its IUPAC name is 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide
PubChem CID132919153
Molecular FormulaC20H20I2N2O6
Molecular Weight638.20 g/mol
Exact Mass637.94
IUPAC Name2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1I(=O)=O)c1ccccc1I(=O)=O
InChIInChI=1S/C20H20I2N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1
InChIKeySJBQMTRJVQMMFI-ROUUACIJSA-N
XLogP3.89
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.20
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-diphenylphosphoryl-N-[(1R,2R)-2-[(2-diphenylphosphorylbenzoyl)amino]cyclohexyl]benzamide
CID 100933455
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080

Frequently Asked Questions

What is the IUPAC name of 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide?
The IUPAC name of 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide (CID 132919153) is 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide is O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1I(=O)=O)c1ccccc1I(=O)=O.
What is the InChIKey of 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide?
The InChIKey is SJBQMTRJVQMMFI-ROUUACIJSA-N. The full InChI is InChI=1S/C20H20I2N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1.
What are the key properties of 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide?
2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide has a molecular weight of 638.20 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodyl-N-[(1S,2S)-2-[(2-iodylbenzoyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 132919153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).