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

C16H15BrN2O2 — CID 135517170

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H15BrN2O2/c17-14-7-8-15(20)13(10-14)11-18-19-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,20H,6,9H2,(H,19,21)/b18-11+
InChIKeyFJXZOKDMWBWBQU-WOJGMQOQSA-N
MW347.21 g/mol
LogP3.24
Rot. Bonds5

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 135517170) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID135517170
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H15BrN2O2/c17-14-7-8-15(20)13(10-14)11-18-19-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,20H,6,9H2,(H,19,21)/b18-11+
InChIKeyFJXZOKDMWBWBQU-WOJGMQOQSA-N
XLogP3.24
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.24
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]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (CID 135517170) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is FJXZOKDMWBWBQU-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-14-7-8-15(20)13(10-14)11-18-19-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,20H,6,9H2,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 347.21 g/mol, XLogP of 3.24, 5 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]-3-phenylpropanamide is sourced from PubChem (CID 135517170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).