N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide

C18H23BrN2O — CID 56695642

IUPACN-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
SMILESC/C(=N\NC(=O)C1C2CCCCCCC21)c1cccc(Br)c1
InChIInChI=1S/C18H23BrN2O/c1-12(13-7-6-8-14(19)11-13)20-21-18(22)17-15-9-4-2-3-5-10-16(15)17/h6-8,11,15-17H,2-5,9-10H2,1H3,(H,21,22)/b20-12+
InChIKeyOBUGXADSESPYGG-UDWIEESQSA-N
MW363.30 g/mol
LogP4.51
Rot. Bonds3

About N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide

N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide (PubChem CID 56695642) has the molecular formula C18H23BrN2O and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
PubChem CID56695642
Molecular FormulaC18H23BrN2O
Molecular Weight363.30 g/mol
Exact Mass362.10
IUPAC NameN-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
SMILESC/C(=N\NC(=O)C1C2CCCCCCC21)c1cccc(Br)c1
InChIInChI=1S/C18H23BrN2O/c1-12(13-7-6-8-14(19)11-13)20-21-18(22)17-15-9-4-2-3-5-10-16(15)17/h6-8,11,15-17H,2-5,9-10H2,1H3,(H,21,22)/b20-12+
InChIKeyOBUGXADSESPYGG-UDWIEESQSA-N
XLogP4.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.51
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

(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 6921900
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide
CID 6977786
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
CID 24818451
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11961320

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide?
The IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide (CID 56695642) is N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide.
What is the SMILES notation for N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide?
The canonical SMILES for N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide is C/C(=N\NC(=O)C1C2CCCCCCC21)c1cccc(Br)c1.
What is the InChIKey of N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide?
The InChIKey is OBUGXADSESPYGG-UDWIEESQSA-N. The full InChI is InChI=1S/C18H23BrN2O/c1-12(13-7-6-8-14(19)11-13)20-21-18(22)17-15-9-4-2-3-5-10-16(15)17/h6-8,11,15-17H,2-5,9-10H2,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide?
N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide is sourced from PubChem (CID 56695642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).