N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide

C14H18INO2 — CID 113339330

IUPACN-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCC2O)c1I
InChIInChI=1S/C14H18INO2/c1-9-5-4-6-10(13(9)15)14(18)16-11-7-2-3-8-12(11)17/h4-6,11-12,17H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyLRUUSYPHNJBFSD-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.63
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide

N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide (PubChem CID 113339330) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
PubChem CID113339330
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC NameN-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCC2O)c1I
InChIInChI=1S/C14H18INO2/c1-9-5-4-6-10(13(9)15)14(18)16-11-7-2-3-8-12(11)17/h4-6,11-12,17H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyLRUUSYPHNJBFSD-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide (CID 113339330) is N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCCC2O)c1I.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide?
The InChIKey is LRUUSYPHNJBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-5-4-6-10(13(9)15)14(18)16-11-7-2-3-8-12(11)17/h4-6,11-12,17H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide?
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide has a molecular weight of 359.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 113339330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).