2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide

C19H23BrN2O — CID 7918712

IUPAC2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide
SMILESO=C(N/N=C1\CC[C@@H]2[C@@H]3CCCCC[C@@H]3[C@H]12)c1ccccc1Br
InChIInChI=1S/C19H23BrN2O/c20-16-9-5-4-8-15(16)19(23)22-21-17-11-10-14-12-6-2-1-3-7-13(12)18(14)17/h4-5,8-9,12-14,18H,1-3,6-7,10-11H2,(H,22,23)/b21-17+/t12-,13+,14-,18+/m1/s1
InChIKeyVAKFUWKUQIIGNC-LAPIOEHESA-N
MW375.31 g/mol
LogP4.77
Rot. Bonds2

About 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide

2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide (PubChem CID 7918712) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide
PubChem CID7918712
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide
SMILESO=C(N/N=C1\CC[C@@H]2[C@@H]3CCCCC[C@@H]3[C@H]12)c1ccccc1Br
InChIInChI=1S/C19H23BrN2O/c20-16-9-5-4-8-15(16)19(23)22-21-17-11-10-14-12-6-2-1-3-7-13(12)18(14)17/h4-5,8-9,12-14,18H,1-3,6-7,10-11H2,(H,22,23)/b21-17+/t12-,13+,14-,18+/m1/s1
InChIKeyVAKFUWKUQIIGNC-LAPIOEHESA-N
XLogP4.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.77
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'}

Analyze 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
N-(2-adamantylideneamino)-2-bromobenzamide
CID 4167138
2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 3608983
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066709
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
N-[(Z)-(2-ethylcyclopentylidene)amino]-2-methylbenzamide
CID 6079142

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide (CID 7918712) is 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide is O=C(N/N=C1\CC[C@@H]2[C@@H]3CCCCC[C@@H]3[C@H]12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide?
The InChIKey is VAKFUWKUQIIGNC-LAPIOEHESA-N. The full InChI is InChI=1S/C19H23BrN2O/c20-16-9-5-4-8-15(16)19(23)22-21-17-11-10-14-12-6-2-1-3-7-13(12)18(14)17/h4-5,8-9,12-14,18H,1-3,6-7,10-11H2,(H,22,23)/b21-17+/t12-,13+,14-,18+/m1/s1.
What are the key properties of 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide?
2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide has a molecular weight of 375.31 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-[(1S,2S,6R,7R)-3-tricyclo[5.5.0.02,6]dodecanylidene]amino]benzamide is sourced from PubChem (CID 7918712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).