3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide

C14H18INO2 — CID 104627390

IUPAC3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H18INO2/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-11(15)13(17)8-10/h6-9,12,17H,2-5H2,1H3,(H,16,18)
InChIKeyQKTNTYDTWAFJNS-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.31
Rot. Bonds2

About 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide

3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide (PubChem CID 104627390) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
PubChem CID104627390
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H18INO2/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-11(15)13(17)8-10/h6-9,12,17H,2-5H2,1H3,(H,16,18)
InChIKeyQKTNTYDTWAFJNS-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
CID 104628956
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
3-hydroxy-4-iodo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113434890

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide (CID 104627390) is 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide?
The InChIKey is QKTNTYDTWAFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-11(15)13(17)8-10/h6-9,12,17H,2-5H2,1H3,(H,16,18).
What are the key properties of 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide?
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide has a molecular weight of 359.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 104627390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).