2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide

C25H19BrN2O2 — CID 29147296

IUPAC2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br
InChIInChI=1S/C25H19BrN2O2/c26-23-13-7-6-12-21(23)25(29)28-27-16-22-20-11-5-4-10-19(20)14-15-24(22)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)/b27-16-
InChIKeyITLVISXHCUJLOM-YUMHPJSZSA-N
MW459.34 g/mol
LogP5.95
Rot. Bonds6

About 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide

2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 29147296) has the molecular formula C25H19BrN2O2 and a molecular weight of 459.34 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID29147296
Molecular FormulaC25H19BrN2O2
Molecular Weight459.34 g/mol
Exact Mass458.06
IUPAC Name2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br
InChIInChI=1S/C25H19BrN2O2/c26-23-13-7-6-12-21(23)25(29)28-27-16-22-20-11-5-4-10-19(20)14-15-24(22)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)/b27-16-
InChIKeyITLVISXHCUJLOM-YUMHPJSZSA-N
XLogP5.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide (CID 29147296) is 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C\c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is ITLVISXHCUJLOM-YUMHPJSZSA-N. The full InChI is InChI=1S/C25H19BrN2O2/c26-23-13-7-6-12-21(23)25(29)28-27-16-22-20-11-5-4-10-19(20)14-15-24(22)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)/b27-16-.
What are the key properties of 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 459.34 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 29147296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).