N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide

C20H15BrN2O2 — CID 135738438

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15BrN2O2/c21-18-10-11-19(24)17(12-18)13-22-23-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24H,(H,23,25)/b22-13+
InChIKeyRUXATXMVRFQBOS-LPYMAVHISA-N
MW395.26 g/mol
LogP4.59
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 135738438) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID135738438
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15BrN2O2/c21-18-10-11-19(24)17(12-18)13-22-23-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24H,(H,23,25)/b22-13+
InChIKeyRUXATXMVRFQBOS-LPYMAVHISA-N
XLogP4.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide 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

N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
2-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802196
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 135684588
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136914771
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide (CID 135738438) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is RUXATXMVRFQBOS-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15BrN2O2/c21-18-10-11-19(24)17(12-18)13-22-23-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24H,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 395.26 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).