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

C20H15BrN2O2 — CID 1009807

IUPAC2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C20H15BrN2O2/c21-15-10-11-19(24)14(12-15)13-22-18-9-5-4-8-17(18)20(25)23-16-6-2-1-3-7-16/h1-13,24H,(H,23,25)/b22-13+
InChIKeyBVMKXPSKQSOHNV-LPYMAVHISA-N
MW395.26 g/mol
LogP5.16
Rot. Bonds4

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

2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide (PubChem CID 1009807) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide
PubChem CID1009807
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C20H15BrN2O2/c21-15-10-11-19(24)14(12-15)13-22-18-9-5-4-8-17(18)20(25)23-16-6-2-1-3-7-16/h1-13,24H,(H,23,25)/b22-13+
InChIKeyBVMKXPSKQSOHNV-LPYMAVHISA-N
XLogP5.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide (CID 1009807) is 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
The InChIKey is BVMKXPSKQSOHNV-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15BrN2O2/c21-15-10-11-19(24)14(12-15)13-22-18-9-5-4-8-17(18)20(25)23-16-6-2-1-3-7-16/h1-13,24H,(H,23,25)/b22-13+.
What are the key properties of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide?
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide has a molecular weight of 395.26 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 1009807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).