N-(2-adamantyl)-5-bromo-2-iodobenzamide

C17H19BrINO — CID 103602440

IUPACN-(2-adamantyl)-5-bromo-2-iodobenzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)ccc1I
InChIInChI=1S/C17H19BrINO/c18-13-1-2-15(19)14(8-13)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChIKeyOLERWHVRPQKNFD-UHFFFAOYSA-N
MW460.15 g/mol
LogP4.61
Rot. Bonds2

About N-(2-adamantyl)-5-bromo-2-iodobenzamide

N-(2-adamantyl)-5-bromo-2-iodobenzamide (PubChem CID 103602440) has the molecular formula C17H19BrINO and a molecular weight of 460.15 g/mol. Its IUPAC name is N-(2-adamantyl)-5-bromo-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-bromo-2-iodobenzamide
PubChem CID103602440
Molecular FormulaC17H19BrINO
Molecular Weight460.15 g/mol
Exact Mass458.97
IUPAC NameN-(2-adamantyl)-5-bromo-2-iodobenzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)ccc1I
InChIInChI=1S/C17H19BrINO/c18-13-1-2-15(19)14(8-13)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChIKeyOLERWHVRPQKNFD-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.15
LogP ≤ 54.61
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

N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-iodobenzamide
CID 114032600
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
4-[(5-bromo-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808546
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
CID 31303460
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
5-bromo-2-iodo-N-pyrrol-1-ylbenzamide
CID 103739975
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-bromo-2-iodobenzamide?
The IUPAC name of N-(2-adamantyl)-5-bromo-2-iodobenzamide (CID 103602440) is N-(2-adamantyl)-5-bromo-2-iodobenzamide.
What is the SMILES notation for N-(2-adamantyl)-5-bromo-2-iodobenzamide?
The canonical SMILES for N-(2-adamantyl)-5-bromo-2-iodobenzamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)ccc1I.
What is the InChIKey of N-(2-adamantyl)-5-bromo-2-iodobenzamide?
The InChIKey is OLERWHVRPQKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrINO/c18-13-1-2-15(19)14(8-13)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21).
What are the key properties of N-(2-adamantyl)-5-bromo-2-iodobenzamide?
N-(2-adamantyl)-5-bromo-2-iodobenzamide has a molecular weight of 460.15 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-bromo-2-iodobenzamide is sourced from PubChem (CID 103602440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).