3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide

C16H15BrN2O2 — CID 135560501

IUPAC3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-3-4-13(9-15(10)17)16(21)19-18-11(2)12-5-7-14(20)8-6-12/h3-9,20H,1-2H3,(H,19,21)/b18-11+
InChIKeyRDXPNGZNMGCUFM-WOJGMQOQSA-N
MW347.21 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide

3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide (PubChem CID 135560501) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
PubChem CID135560501
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-3-4-13(9-15(10)17)16(21)19-18-11(2)12-5-7-14(20)8-6-12/h3-9,20H,1-2H3,(H,19,21)/b18-11+
InChIKeyRDXPNGZNMGCUFM-WOJGMQOQSA-N
XLogP3.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide 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

3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
Lsd1-IN-30
CID 135442596
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-bromobenzohydrazide
CID 135459073
4-[(E)-N-[(3-bromobenzoyl)amino]-C-methylcarbonimidoyl]benzoic acid
CID 164616372
N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl](2-methylphenyl)carboxamide
CID 135412184
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
CID 135445578
N'-[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]benzohydrazide
CID 135445575
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-hydroxybenzamide
CID 9657428
2-Hydroxy-5-bromobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135604314

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide (CID 135560501) is 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide is C/C(=N\NC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1.
What is the InChIKey of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The InChIKey is RDXPNGZNMGCUFM-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-3-4-13(9-15(10)17)16(21)19-18-11(2)12-5-7-14(20)8-6-12/h3-9,20H,1-2H3,(H,19,21)/b18-11+.
What are the key properties of 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide has a molecular weight of 347.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135560501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).