2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide

C15H19I2NO3 — CID 65119537

IUPAC2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
SMILESCC1CCC(O)(CNC(=O)c2cc(I)cc(I)c2O)CC1
InChIInChI=1S/C15H19I2NO3/c1-9-2-4-15(21,5-3-9)8-18-14(20)11-6-10(16)7-12(17)13(11)19/h6-7,9,19,21H,2-5,8H2,1H3,(H,18,20)
InChIKeyAVRZYHGCJLBECM-UHFFFAOYSA-N
MW515.13 g/mol
LogP3.27
Rot. Bonds3

About 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide

2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide (PubChem CID 65119537) has the molecular formula C15H19I2NO3 and a molecular weight of 515.13 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
PubChem CID65119537
Molecular FormulaC15H19I2NO3
Molecular Weight515.13 g/mol
Exact Mass514.95
IUPAC Name2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
SMILESCC1CCC(O)(CNC(=O)c2cc(I)cc(I)c2O)CC1
InChIInChI=1S/C15H19I2NO3/c1-9-2-4-15(21,5-3-9)8-18-14(20)11-6-10(16)7-12(17)13(11)19/h6-7,9,19,21H,2-5,8H2,1H3,(H,18,20)
InChIKeyAVRZYHGCJLBECM-UHFFFAOYSA-N
XLogP3.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.13
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,5-triiodobenzamide
CID 65120111
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
CID 65119535
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
N-[(1-hydroxycycloheptyl)methyl]-2,3,5-triiodobenzamide
CID 65122999
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 65120092
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
CID 65118919

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide (CID 65119537) is 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide is CC1CCC(O)(CNC(=O)c2cc(I)cc(I)c2O)CC1.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide?
The InChIKey is AVRZYHGCJLBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19I2NO3/c1-9-2-4-15(21,5-3-9)8-18-14(20)11-6-10(16)7-12(17)13(11)19/h6-7,9,19,21H,2-5,8H2,1H3,(H,18,20).
What are the key properties of 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide?
2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide has a molecular weight of 515.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide is sourced from PubChem (CID 65119537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).