N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide

C14H17BrINO — CID 102638355

IUPACN-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1I)C1CCCCC1Br
InChIInChI=1S/C14H17BrINO/c1-17(13-9-5-3-7-11(13)15)14(18)10-6-2-4-8-12(10)16/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChIKeyOLYIYONPPOFVJT-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.07
Rot. Bonds2

About N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide

N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide (PubChem CID 102638355) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
PubChem CID102638355
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC NameN-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1I)C1CCCCC1Br
InChIInChI=1S/C14H17BrINO/c1-17(13-9-5-3-7-11(13)15)14(18)10-6-2-4-8-12(10)16/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChIKeyOLYIYONPPOFVJT-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
CID 102638460
N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122978
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
CID 114103998
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 102638299
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638374
N-(2-aminocyclohexyl)-2-hydroxy-N-methylbenzamide
CID 102639040
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039940

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide (CID 102638355) is N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide is CN(C(=O)c1ccccc1I)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide?
The InChIKey is OLYIYONPPOFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c1-17(13-9-5-3-7-11(13)15)14(18)10-6-2-4-8-12(10)16/h2,4,6,8,11,13H,3,5,7,9H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide?
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide has a molecular weight of 422.10 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide is sourced from PubChem (CID 102638355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).