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

C15H13BrN2O2 — CID 135504477

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrN2O2/c16-13-6-7-14(19)12(9-13)10-17-18-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,18,20)/b17-10+
InChIKeyDYXCLEWUWFSPNX-LICLKQGHSA-N
MW333.19 g/mol
LogP2.85
Rot. Bonds4

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135504477) 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]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135504477
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrN2O2/c16-13-6-7-14(19)12(9-13)10-17-18-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,18,20)/b17-10+
InChIKeyDYXCLEWUWFSPNX-LICLKQGHSA-N
XLogP2.85
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.85
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

(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-(5-bromo-2-hydroxybenzylidene)-2-chlorobenzohydrazide
CID 135521406
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
N'-(5-bromo-2-hydroxybenzylidene)-4-chlorobenzohydrazide
CID 135604309
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
Benzylidenehydrazine derivative, 15
CID 42618301
Hydroxy-N-[(2-hydroxyphenyl)methylidene](phenyl)ethanehydrazonic acid
CID 258649

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide (CID 135504477) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is DYXCLEWUWFSPNX-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-13-6-7-14(19)12(9-13)10-17-18-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 333.19 g/mol, XLogP of 2.85, 4 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]-2-phenylacetamide is sourced from PubChem (CID 135504477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).