N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide

C15H17BrN2O — CID 3098524

IUPACN-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
SMILESO=C(NN=CC1CC2CCC1C2)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O/c16-14-4-2-1-3-13(14)15(19)18-17-9-12-8-10-5-6-11(12)7-10/h1-4,9-12H,5-8H2,(H,18,19)
InChIKeyFHVGJKHYXYNWHN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.60
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide

N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide (PubChem CID 3098524) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
PubChem CID3098524
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
SMILESO=C(NN=CC1CC2CCC1C2)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O/c16-14-4-2-1-3-13(14)15(19)18-17-9-12-8-10-5-6-11(12)7-10/h1-4,9-12H,5-8H2,(H,18,19)
InChIKeyFHVGJKHYXYNWHN-UHFFFAOYSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.60
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

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 129439089
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-nitrobenzamide
CID 5454756
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
CID 6545059
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2,4-dichlorobenzamide
CID 129438748
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-5-chloro-2-hydroxybenzamide
CID 11880265
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485
trans-(1S,2S)-N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 50930149
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-nitrobenzamide
CID 7104045
N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 98220984
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dimethoxybenzamide
CID 7449031
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 98330842

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide (CID 3098524) is N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide is O=C(NN=CC1CC2CCC1C2)c1ccccc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide?
The InChIKey is FHVGJKHYXYNWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-14-4-2-1-3-13(14)15(19)18-17-9-12-8-10-5-6-11(12)7-10/h1-4,9-12H,5-8H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide?
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide has a molecular weight of 321.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide is sourced from PubChem (CID 3098524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).