N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide

C14H18INO2 — CID 103696159

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCCC2O)c1I
InChIInChI=1S/C14H18INO2/c1-9-4-2-6-11(13(9)15)14(18)16-8-10-5-3-7-12(10)17/h2,4,6,10,12,17H,3,5,7-8H2,1H3,(H,16,18)
InChIKeyZRRRRZDPVMBNAJ-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.49
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide

N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide (PubChem CID 103696159) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
PubChem CID103696159
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCCC2O)c1I
InChIInChI=1S/C14H18INO2/c1-9-4-2-6-11(13(9)15)14(18)16-8-10-5-3-7-12(10)17/h2,4,6,10,12,17H,3,5,7-8H2,1H3,(H,16,18)
InChIKeyZRRRRZDPVMBNAJ-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.49
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

N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide (CID 103696159) is N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NCC2CCCC2O)c1I.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide?
The InChIKey is ZRRRRZDPVMBNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-4-2-6-11(13(9)15)14(18)16-8-10-5-3-7-12(10)17/h2,4,6,10,12,17H,3,5,7-8H2,1H3,(H,16,18).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide?
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide has a molecular weight of 359.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103696159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).