N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

C19H18BrN3O3 — CID 135497926

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C19H18BrN3O3/c20-16-6-7-17(24)14(8-16)10-21-22-18(25)12-23-11-15(9-19(23)26)13-4-2-1-3-5-13/h1-8,10,15,24H,9,11-12H2,(H,22,25)/b21-10+
InChIKeyLSBJKQQJFCXWKZ-UFFVCSGVSA-N
MW416.28 g/mol
LogP2.62
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (PubChem CID 135497926) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
PubChem CID135497926
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C19H18BrN3O3/c20-16-6-7-17(24)14(8-16)10-21-22-18(25)12-23-11-15(9-19(23)26)13-4-2-1-3-5-13/h1-8,10,15,24H,9,11-12H2,(H,22,25)/b21-10+
InChIKeyLSBJKQQJFCXWKZ-UFFVCSGVSA-N
XLogP2.62
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 285507
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388
2-bromo-N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135472783
N'-(5-bromo-2-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 135517170
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 145963866
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135504477
Succinimide, 2-(m-bromophenyl)-N-(o-hydroxybenzylideneamino)-
CID 135770218
US10196346, Example 18
CID 137129819
N-(2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide
CID 135607178
2-(4-Benzyl-1-piperazinyl)-N'-(5-bromo-2-hydroxybenzylidene)acetohydrazide
CID 135810901
N-(2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide
CID 135821630
3-Bromo-N-(2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoethyl)benzamide
CID 136806666

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (CID 135497926) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is O=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is LSBJKQQJFCXWKZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-16-6-7-17(24)14(8-16)10-21-22-18(25)12-23-11-15(9-19(23)26)13-4-2-1-3-5-13/h1-8,10,15,24H,9,11-12H2,(H,22,25)/b21-10+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 416.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 135497926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).