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

C15H13BrN2O2 — CID 135604313

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-4-11(5-3-10)15(20)18-17-9-12-8-13(16)6-7-14(12)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyKVDIHWYONRZPDN-RQZCQDPDSA-N
MW333.19 g/mol
LogP3.23
Rot. Bonds3

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 135604313) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID135604313
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-4-11(5-3-10)15(20)18-17-9-12-8-13(16)6-7-14(12)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyKVDIHWYONRZPDN-RQZCQDPDSA-N
XLogP3.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide (CID 135604313) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is KVDIHWYONRZPDN-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-2-4-11(5-3-10)15(20)18-17-9-12-8-13(16)6-7-14(12)19/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 333.19 g/mol, XLogP of 3.23, 3 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-methylbenzamide is sourced from PubChem (CID 135604313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).