(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

C21H25BrN2O — CID 56691529

IUPAC(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(N/N=C/c1ccccc1Br)C1C2CC/C=C\CC/C=C\CCC21
InChIInChI=1S/C21H25BrN2O/c22-19-14-10-9-11-16(19)15-23-24-21(25)20-17-12-7-5-3-1-2-4-6-8-13-18(17)20/h3-6,9-11,14-15,17-18,20H,1-2,7-8,12-13H2,(H,24,25)/b5-3-,6-4-,23-15+
InChIKeyCXSVWIBMCMBREG-GPQWPLJOSA-N
MW401.35 g/mol
LogP5.23
Rot. Bonds3

About (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (PubChem CID 56691529) has the molecular formula C21H25BrN2O and a molecular weight of 401.35 g/mol. Its IUPAC name is (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.

Molecular Properties

Compound Name(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
PubChem CID56691529
Molecular FormulaC21H25BrN2O
Molecular Weight401.35 g/mol
Exact Mass400.12
IUPAC Name(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(N/N=C/c1ccccc1Br)C1C2CC/C=C\CC/C=C\CCC21
InChIInChI=1S/C21H25BrN2O/c22-19-14-10-9-11-16(19)15-23-24-21(25)20-17-12-7-5-3-1-2-4-6-8-13-18(17)20/h3-6,9-11,14-15,17-18,20H,1-2,7-8,12-13H2,(H,24,25)/b5-3-,6-4-,23-15+
InChIKeyCXSVWIBMCMBREG-GPQWPLJOSA-N
XLogP5.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.35
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide 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

N-[(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 3959146
(1R,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 6738899
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
(1S,4Z,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 7348527
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135646971
(1R,6R)-N-[(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129431796
(1R,6S)-N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135733521
N-[(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5022833
(1R,4Z,8R)-N-[(Z)-(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 11914006

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The IUPAC name of (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (CID 56691529) is (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.
What is the SMILES notation for (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The canonical SMILES for (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is O=C(N/N=C/c1ccccc1Br)C1C2CC/C=C\CC/C=C\CCC21.
What is the InChIKey of (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The InChIKey is CXSVWIBMCMBREG-GPQWPLJOSA-N. The full InChI is InChI=1S/C21H25BrN2O/c22-19-14-10-9-11-16(19)15-23-24-21(25)20-17-12-7-5-3-1-2-4-6-8-13-18(17)20/h3-6,9-11,14-15,17-18,20H,1-2,7-8,12-13H2,(H,24,25)/b5-3-,6-4-,23-15+.
What are the key properties of (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is sourced from PubChem (CID 56691529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).