N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H17BrN2O2 — CID 6262708

IUPACN-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C21H17BrN2O2/c22-19-11-6-7-16(13-19)15-26-20-12-5-4-10-18(20)14-23-24-21(25)17-8-2-1-3-9-17/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyGVKJVGBZRTZBRF-UCQKPKSFSA-N
MW409.28 g/mol
LogP4.79
Rot. Bonds6

About N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide

N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 6262708) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID6262708
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC NameN-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C21H17BrN2O2/c22-19-11-6-7-16(13-19)15-26-20-12-5-4-10-18(20)14-23-24-21(25)17-8-2-1-3-9-17/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyGVKJVGBZRTZBRF-UCQKPKSFSA-N
XLogP4.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.79
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 N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]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

Related Compounds

5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
CID 3438844
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
CID 3400456
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332805
N-[(Z)-3-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46501237
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
3-bromo-N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51060854

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 6262708) is N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccccc1OCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is GVKJVGBZRTZBRF-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-19-11-6-7-16(13-19)15-26-20-12-5-4-10-18(20)14-23-24-21(25)17-8-2-1-3-9-17/h1-14H,15H2,(H,24,25)/b23-14-.
What are the key properties of N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 409.28 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6262708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).