4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide

C19H21BrN2O2 — CID 6001763

IUPAC4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccc(Br)cc1)c1ccc(OCC)cc1
InChIInChI=1S/C19H21BrN2O2/c1-3-5-18(14-8-12-17(13-9-14)24-4-2)21-22-19(23)15-6-10-16(20)11-7-15/h6-13H,3-5H2,1-2H3,(H,22,23)/b21-18-
InChIKeyBTZRXFOYEHIECG-UZYVYHOESA-N
MW389.29 g/mol
LogP4.78
Rot. Bonds7

About 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide

4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide (PubChem CID 6001763) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
PubChem CID6001763
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccc(Br)cc1)c1ccc(OCC)cc1
InChIInChI=1S/C19H21BrN2O2/c1-3-5-18(14-8-12-17(13-9-14)24-4-2)21-22-19(23)15-6-10-16(20)11-7-15/h6-13H,3-5H2,1-2H3,(H,22,23)/b21-18-
InChIKeyBTZRXFOYEHIECG-UZYVYHOESA-N
XLogP4.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.78
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 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]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

4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 7230039
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide (CID 6001763) is 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide is CCC/C(=N/NC(=O)c1ccc(Br)cc1)c1ccc(OCC)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
The InChIKey is BTZRXFOYEHIECG-UZYVYHOESA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-3-5-18(14-8-12-17(13-9-14)24-4-2)21-22-19(23)15-6-10-16(20)11-7-15/h6-13H,3-5H2,1-2H3,(H,22,23)/b21-18-.
What are the key properties of 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide is sourced from PubChem (CID 6001763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).