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

C11H13BrN2O3 — CID 135401375

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide
SMILESO=C(CCCO)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrN2O3/c12-9-3-4-10(16)8(6-9)7-13-14-11(17)2-1-5-15/h3-4,6-7,15-16H,1-2,5H2,(H,14,17)/b13-7+
InChIKeyRDEZHAKSHNTDNP-NTUHNPAUSA-N
MW301.14 g/mol
LogP1.38
Rot. Bonds5

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide (PubChem CID 135401375) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide
PubChem CID135401375
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide
SMILESO=C(CCCO)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrN2O3/c12-9-3-4-10(16)8(6-9)7-13-14-11(17)2-1-5-15/h3-4,6-7,15-16H,1-2,5H2,(H,14,17)/b13-7+
InChIKeyRDEZHAKSHNTDNP-NTUHNPAUSA-N
XLogP1.38
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide (CID 135401375) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide is O=C(CCCO)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
The InChIKey is RDEZHAKSHNTDNP-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-9-3-4-10(16)8(6-9)7-13-14-11(17)2-1-5-15/h3-4,6-7,15-16H,1-2,5H2,(H,14,17)/b13-7+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide has a molecular weight of 301.14 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydroxybutanamide is sourced from PubChem (CID 135401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).