N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide

C15H19ClINO2 — CID 107732635

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
SMILESCC1CCCC(CCl)(NC(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C15H19ClINO2/c1-10-3-2-6-15(8-10,9-16)18-14(20)12-7-11(17)4-5-13(12)19/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyOHNJIMQYJUXMFC-UHFFFAOYSA-N
MW407.68 g/mol
LogP3.91
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide (PubChem CID 107732635) has the molecular formula C15H19ClINO2 and a molecular weight of 407.68 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
PubChem CID107732635
Molecular FormulaC15H19ClINO2
Molecular Weight407.68 g/mol
Exact Mass407.01
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
SMILESCC1CCCC(CCl)(NC(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C15H19ClINO2/c1-10-3-2-6-15(8-10,9-16)18-14(20)12-7-11(17)4-5-13(12)19/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyOHNJIMQYJUXMFC-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.68
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 113273147
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-hydroxy-2-methylbenzamide
CID 107673046
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-hydroxypyridine-4-carboxamide
CID 114304004
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,5-dihydroxybenzamide
CID 107726052
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
3-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 103212407
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-fluoro-3-methylbenzamide
CID 114303948
2-bromo-N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 107983965
N-[1-(chloromethyl)-3-methylcyclohexyl]-3,4,5-trifluorobenzamide
CID 114304031
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 114303991

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide (CID 107732635) is N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide is CC1CCCC(CCl)(NC(=O)c2cc(I)ccc2O)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is OHNJIMQYJUXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClINO2/c1-10-3-2-6-15(8-10,9-16)18-14(20)12-7-11(17)4-5-13(12)19/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 407.68 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107732635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).