2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide

C15H20INO3 — CID 107732018

IUPAC2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(I)ccc1O
InChIInChI=1S/C15H20INO3/c16-11-4-5-13(19)12(8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyXDZZEQNDMVUUMB-UHFFFAOYSA-N
MW389.23 g/mol
LogP2.67
Rot. Bonds4

About 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide

2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide (PubChem CID 107732018) has the molecular formula C15H20INO3 and a molecular weight of 389.23 g/mol. Its IUPAC name is 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
PubChem CID107732018
Molecular FormulaC15H20INO3
Molecular Weight389.23 g/mol
Exact Mass389.05
IUPAC Name2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(I)ccc1O
InChIInChI=1S/C15H20INO3/c16-11-4-5-13(19)12(8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyXDZZEQNDMVUUMB-UHFFFAOYSA-N
XLogP2.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 52.67
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

4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide?
The IUPAC name of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide (CID 107732018) is 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide.
What is the SMILES notation for 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide?
The canonical SMILES for 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide is O=C(NCC1(CO)CCCCC1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide?
The InChIKey is XDZZEQNDMVUUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO3/c16-11-4-5-13(19)12(8-11)14(20)17-9-15(10-18)6-2-1-3-7-15/h4-5,8,18-19H,1-3,6-7,9-10H2,(H,17,20).
What are the key properties of 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide?
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide has a molecular weight of 389.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide is sourced from PubChem (CID 107732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).