N-(cyclohexylmethyl)-2-iodobenzamide

C14H18INO — CID 2677280

IUPACN-(cyclohexylmethyl)-2-iodobenzamide
SMILESO=C(NCC1CCCCC1)c1ccccc1I
InChIInChI=1S/C14H18INO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyRSXSFOBLWHWQNL-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.60
Rot. Bonds3

About N-(cyclohexylmethyl)-2-iodobenzamide

N-(cyclohexylmethyl)-2-iodobenzamide (PubChem CID 2677280) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-iodobenzamide
PubChem CID2677280
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC NameN-(cyclohexylmethyl)-2-iodobenzamide
SMILESO=C(NCC1CCCCC1)c1ccccc1I
InChIInChI=1S/C14H18INO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyRSXSFOBLWHWQNL-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
CID 90498837
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115581693
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
N-(cyclopentylmethyl)-2-sulfamoylbenzamide
CID 43371345
N-(cyclohexylmethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547420

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-iodobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-iodobenzamide (CID 2677280) is N-(cyclohexylmethyl)-2-iodobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-iodobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-iodobenzamide is O=C(NCC1CCCCC1)c1ccccc1I.
What is the InChIKey of N-(cyclohexylmethyl)-2-iodobenzamide?
The InChIKey is RSXSFOBLWHWQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of N-(cyclohexylmethyl)-2-iodobenzamide?
N-(cyclohexylmethyl)-2-iodobenzamide has a molecular weight of 343.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-iodobenzamide is sourced from PubChem (CID 2677280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).