N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide

C16H19BrN2O — CID 11895622

IUPACN-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
SMILESC/C(=N/NC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H19BrN2O/c1-10(15-8-11-5-6-12(15)7-11)18-19-16(20)13-3-2-4-14(17)9-13/h2-4,9,11-12,15H,5-8H2,1H3,(H,19,20)/b18-10-/t11-,12+,15-/m0/s1
InChIKeyCXZXCGNXJUJTER-MHPASMAOSA-N
MW335.25 g/mol
LogP3.99
Rot. Bonds3

About N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide

N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide (PubChem CID 11895622) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
PubChem CID11895622
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
SMILESC/C(=N/NC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H19BrN2O/c1-10(15-8-11-5-6-12(15)7-11)18-19-16(20)13-3-2-4-14(17)9-13/h2-4,9,11-12,15H,5-8H2,1H3,(H,19,20)/b18-10-/t11-,12+,15-/m0/s1
InChIKeyCXZXCGNXJUJTER-MHPASMAOSA-N
XLogP3.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
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'}

Analyze N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
CID 3604232
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4,5-trimethoxybenzamide
CID 7256309
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
CID 4149105
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 129439872
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 6949140
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352
ethyl N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]carbamate
CID 7112571
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
N-(2-adamantyl)-3-bromobenzamide
CID 771513

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide?
The IUPAC name of N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide (CID 11895622) is N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide.
What is the SMILES notation for N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide?
The canonical SMILES for N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide is C/C(=N/NC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide?
The InChIKey is CXZXCGNXJUJTER-MHPASMAOSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10(15-8-11-5-6-12(15)7-11)18-19-16(20)13-3-2-4-14(17)9-13/h2-4,9,11-12,15H,5-8H2,1H3,(H,19,20)/b18-10-/t11-,12+,15-/m0/s1.
What are the key properties of N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide?
N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide has a molecular weight of 335.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide is sourced from PubChem (CID 11895622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).