N-[(E)-(3-bromophenyl)methylideneamino]nonanamide

C16H23BrN2O — CID 5335116

IUPACN-[(E)-(3-bromophenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-2-3-4-5-6-7-11-16(20)19-18-13-14-9-8-10-15(17)12-14/h8-10,12-13H,2-7,11H2,1H3,(H,19,20)/b18-13+
InChIKeyLVSFKDOERWKLHD-QGOAFFKASA-N
MW339.28 g/mol
LogP4.65
Rot. Bonds9

About N-[(E)-(3-bromophenyl)methylideneamino]nonanamide

N-[(E)-(3-bromophenyl)methylideneamino]nonanamide (PubChem CID 5335116) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]nonanamide
PubChem CID5335116
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-2-3-4-5-6-7-11-16(20)19-18-13-14-9-8-10-15(17)12-14/h8-10,12-13H,2-7,11H2,1H3,(H,19,20)/b18-13+
InChIKeyLVSFKDOERWKLHD-QGOAFFKASA-N
XLogP4.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]nonanamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]nonanamide (CID 5335116) is N-[(E)-(3-bromophenyl)methylideneamino]nonanamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]nonanamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]nonanamide?
The InChIKey is LVSFKDOERWKLHD-QGOAFFKASA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-2-3-4-5-6-7-11-16(20)19-18-13-14-9-8-10-15(17)12-14/h8-10,12-13H,2-7,11H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]nonanamide?
N-[(E)-(3-bromophenyl)methylideneamino]nonanamide has a molecular weight of 339.28 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]nonanamide is sourced from PubChem (CID 5335116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).