N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

C18H19BrN2O3 — CID 135569410

IUPACN-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1O
InChIInChI=1S/C18H19BrN2O3/c1-18(2,3)14-9-12(19)8-11(16(14)23)10-20-21-17(24)13-6-4-5-7-15(13)22/h4-10,22-23H,1-3H3,(H,21,24)/b20-10+
InChIKeyHGXQBBDZJIPMIE-KEBDBYFISA-N
MW391.27 g/mol
LogP3.92
Rot. Bonds3

About N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135569410) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID135569410
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1O
InChIInChI=1S/C18H19BrN2O3/c1-18(2,3)14-9-12(19)8-11(16(14)23)10-20-21-17(24)13-6-4-5-7-15(13)22/h4-10,22-23H,1-3H3,(H,21,24)/b20-10+
InChIKeyHGXQBBDZJIPMIE-KEBDBYFISA-N
XLogP3.92
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136914771
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;2,4-dibromo-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride
CID 24893012
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
3,5-ditert-butyl-4-hydroxy-N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135437725
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 135569410) is N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is CC(C)(C)c1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1O.
What is the InChIKey of N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is HGXQBBDZJIPMIE-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-18(2,3)14-9-12(19)8-11(16(14)23)10-20-21-17(24)13-6-4-5-7-15(13)22/h4-10,22-23H,1-3H3,(H,21,24)/b20-10+.
What are the key properties of N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135569410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).