N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide

C24H19BrN4O2 — CID 44722971

IUPACN-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(Br)cc1-c1ccnn1-c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C24H19BrN4O2/c25-19-11-12-23(31-17-24(30)28-26-16-18-7-3-1-4-8-18)21(15-19)22-13-14-27-29(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,28,30)/b26-16+
InChIKeyIZRIHFDIGUFBCR-WGOQTCKBSA-N
MW475.35 g/mol
LogP4.83
Rot. Bonds7

About N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide

N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide (PubChem CID 44722971) has the molecular formula C24H19BrN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
PubChem CID44722971
Molecular FormulaC24H19BrN4O2
Molecular Weight475.35 g/mol
Exact Mass474.07
IUPAC NameN-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(Br)cc1-c1ccnn1-c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C24H19BrN4O2/c25-19-11-12-23(31-17-24(30)28-26-16-18-7-3-1-4-8-18)21(15-19)22-13-14-27-29(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,28,30)/b26-16+
InChIKeyIZRIHFDIGUFBCR-WGOQTCKBSA-N
XLogP4.83
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
CID 44724900
2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(E)-(3-chloroquinoxalin-2-yl)methylideneamino]acetamide
CID 6876041
N-[(E)-(4-oxochromen-3-yl)methylideneamino]-2-[2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
CID 44727158
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-[4-methyl-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
CID 44722959
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
N-[(E)-benzylideneamino]-2-[2-(1,2-oxazol-5-yl)phenoxy]acetamide
CID 44722987
2-(4-bromo-2-ethylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 19208371
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide (CID 44722971) is N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide is O=C(COc1ccc(Br)cc1-c1ccnn1-c1ccccc1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide?
The InChIKey is IZRIHFDIGUFBCR-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H19BrN4O2/c25-19-11-12-23(31-17-24(30)28-26-16-18-7-3-1-4-8-18)21(15-19)22-13-14-27-29(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,28,30)/b26-16+.
What are the key properties of N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide?
N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide has a molecular weight of 475.35 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 44722971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).