N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide

C14H18INO2 — CID 113294004

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccccc1I
InChIInChI=1S/C14H18INO2/c15-12-6-2-1-5-11(12)13(18)16-9-14(10-17)7-3-4-8-14/h1-2,5-6,17H,3-4,7-10H2,(H,16,18)
InChIKeyBDXBECIXXRWCFN-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.57
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide (PubChem CID 113294004) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
PubChem CID113294004
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccccc1I
InChIInChI=1S/C14H18INO2/c15-12-6-2-1-5-11(12)13(18)16-9-14(10-17)7-3-4-8-14/h1-2,5-6,17H,3-4,7-10H2,(H,16,18)
InChIKeyBDXBECIXXRWCFN-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.57
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-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide (CID 113294004) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide is O=C(NCC1(CO)CCCC1)c1ccccc1I.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
The InChIKey is BDXBECIXXRWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c15-12-6-2-1-5-11(12)13(18)16-9-14(10-17)7-3-4-8-14/h1-2,5-6,17H,3-4,7-10H2,(H,16,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide has a molecular weight of 359.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 113294004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).