N-(2-adamantylideneamino)-2-bromobenzamide

C17H19BrN2O — CID 4167138

IUPACN-(2-adamantylideneamino)-2-bromobenzamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c18-15-4-2-1-3-14(15)17(21)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13H,5-9H2,(H,20,21)/b19-16-
InChIKeyMQLZZSAYLZZYDV-MNDPQUGUSA-N
MW347.26 g/mol
LogP3.99
Rot. Bonds2

About N-(2-adamantylideneamino)-2-bromobenzamide

N-(2-adamantylideneamino)-2-bromobenzamide (PubChem CID 4167138) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-bromobenzamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-bromobenzamide
PubChem CID4167138
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(2-adamantylideneamino)-2-bromobenzamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c18-15-4-2-1-3-14(15)17(21)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13H,5-9H2,(H,20,21)/b19-16-
InChIKeyMQLZZSAYLZZYDV-MNDPQUGUSA-N
XLogP3.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide
CID 17337826
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 3608983
2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide
CID 7918712
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-bromobenzamide
CID 3108554
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
CID 3098524
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide
CID 9215551
N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide
CID 166245704
N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-2-bromobenzamide
CID 7311411

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-2-bromobenzamide?
The IUPAC name of N-(2-adamantylideneamino)-2-bromobenzamide (CID 4167138) is N-(2-adamantylideneamino)-2-bromobenzamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-bromobenzamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-bromobenzamide is O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1Br.
What is the InChIKey of N-(2-adamantylideneamino)-2-bromobenzamide?
The InChIKey is MQLZZSAYLZZYDV-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-4-2-1-3-14(15)17(21)20-19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13H,5-9H2,(H,20,21)/b19-16-.
What are the key properties of N-(2-adamantylideneamino)-2-bromobenzamide?
N-(2-adamantylideneamino)-2-bromobenzamide has a molecular weight of 347.26 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-bromobenzamide is sourced from PubChem (CID 4167138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).