N-(2-adamantyl)-5-amino-2-bromobenzamide

C17H21BrN2O — CID 115297133

IUPACN-(2-adamantyl)-5-amino-2-bromobenzamide
SMILESNc1ccc(Br)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C17H21BrN2O/c18-15-2-1-13(19)8-14(15)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7,19H2,(H,20,21)
InChIKeySCKPDNKODUBQPF-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.59
Rot. Bonds2

About N-(2-adamantyl)-5-amino-2-bromobenzamide

N-(2-adamantyl)-5-amino-2-bromobenzamide (PubChem CID 115297133) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(2-adamantyl)-5-amino-2-bromobenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-amino-2-bromobenzamide
PubChem CID115297133
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(2-adamantyl)-5-amino-2-bromobenzamide
SMILESNc1ccc(Br)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C17H21BrN2O/c18-15-2-1-13(19)8-14(15)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7,19H2,(H,20,21)
InChIKeySCKPDNKODUBQPF-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
CID 121005122
5-amino-2-bromo-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 115297412

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-amino-2-bromobenzamide?
The IUPAC name of N-(2-adamantyl)-5-amino-2-bromobenzamide (CID 115297133) is N-(2-adamantyl)-5-amino-2-bromobenzamide.
What is the SMILES notation for N-(2-adamantyl)-5-amino-2-bromobenzamide?
The canonical SMILES for N-(2-adamantyl)-5-amino-2-bromobenzamide is Nc1ccc(Br)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(2-adamantyl)-5-amino-2-bromobenzamide?
The InChIKey is SCKPDNKODUBQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-15-2-1-13(19)8-14(15)17(21)20-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7,19H2,(H,20,21).
What are the key properties of N-(2-adamantyl)-5-amino-2-bromobenzamide?
N-(2-adamantyl)-5-amino-2-bromobenzamide has a molecular weight of 349.27 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-amino-2-bromobenzamide is sourced from PubChem (CID 115297133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).