N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide

C15H13BrN2O2 — CID 913575

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2cc(Br)ccc2O)c1
InChIInChI=1S/C15H13BrN2O2/c1-10-3-2-4-11(7-10)15(20)18-17-9-12-8-13(16)5-6-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyNZOGAINRHNNGAD-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.23
Rot. Bonds3

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide (PubChem CID 913575) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
PubChem CID913575
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2cc(Br)ccc2O)c1
InChIInChI=1S/C15H13BrN2O2/c1-10-3-2-4-11(7-10)15(20)18-17-9-12-8-13(16)5-6-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyNZOGAINRHNNGAD-UHFFFAOYSA-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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Related Compounds

N-[4-[[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135560215
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 135683510
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 137203260
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide (CID 913575) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2O)c1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
The InChIKey is NZOGAINRHNNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-3-2-4-11(7-10)15(20)18-17-9-12-8-13(16)5-6-14(12)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 913575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).