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

C15H18Cl2INO2 — CID 65119535

IUPAC3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
SMILESCC1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2I)CC1
InChIInChI=1S/C15H18Cl2INO2/c1-9-2-4-15(21,5-3-9)8-19-14(20)11-6-10(16)7-12(17)13(11)18/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)
InChIKeyDKOONJLSXXBRPY-UHFFFAOYSA-N
MW442.12 g/mol
LogP4.27
Rot. Bonds3

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

3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide (PubChem CID 65119535) has the molecular formula C15H18Cl2INO2 and a molecular weight of 442.12 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
PubChem CID65119535
Molecular FormulaC15H18Cl2INO2
Molecular Weight442.12 g/mol
Exact Mass440.98
IUPAC Name3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
SMILESCC1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2I)CC1
InChIInChI=1S/C15H18Cl2INO2/c1-9-2-4-15(21,5-3-9)8-19-14(20)11-6-10(16)7-12(17)13(11)18/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)
InChIKeyDKOONJLSXXBRPY-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.12
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3,5-triiodobenzamide
CID 65120111
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
CID 65119537
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 65120092
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide (CID 65119535) is 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide is CC1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2I)CC1.
What is the InChIKey of 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide?
The InChIKey is DKOONJLSXXBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2INO2/c1-9-2-4-15(21,5-3-9)8-19-14(20)11-6-10(16)7-12(17)13(11)18/h6-7,9,21H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide?
3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide has a molecular weight of 442.12 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide is sourced from PubChem (CID 65119535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).