N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide

C20H16BrN3O4 — CID 71856381

IUPACN-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrN3O4/c21-18-11-17(24(27)28)13-22(20(18)26)14-19(25)23(16-9-5-2-6-10-16)12-15-7-3-1-4-8-15/h1-11,13H,12,14H2
InChIKeyNLEFTHZXUGMUFV-UHFFFAOYSA-N
MW442.27 g/mol
LogP3.75
Rot. Bonds6

About N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide

N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide (PubChem CID 71856381) has the molecular formula C20H16BrN3O4 and a molecular weight of 442.27 g/mol. Its IUPAC name is N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
PubChem CID71856381
Molecular FormulaC20H16BrN3O4
Molecular Weight442.27 g/mol
Exact Mass441.03
IUPAC NameN-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrN3O4/c21-18-11-17(24(27)28)13-22(20(18)26)14-19(25)23(16-9-5-2-6-10-16)12-15-7-3-1-4-8-15/h1-11,13H,12,14H2
InChIKeyNLEFTHZXUGMUFV-UHFFFAOYSA-N
XLogP3.75
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830
N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
CID 8632262
3-bromo-5-nitro-1-(2-oxobutyl)pyridin-2-one
CID 115687189
ethyl 2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)acetate
CID 112699852
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)acetamide
CID 1177159
3-bromo-1-[2-(4-iodophenyl)-2-oxoethyl]-5-nitropyridin-2-one
CID 104505911
N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 9453926
3-bromo-1-[2-(4-chlorophenyl)-2-oxoethyl]-5-nitropyridin-2-one
CID 115687188
3-bromo-1-[(4-fluorophenyl)methyl]-5-nitropyridin-2-one
CID 75381210
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
6-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]pyridine-3-carboxylic acid
CID 104505527
3-bromo-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 115687185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide (CID 71856381) is N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide is O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide?
The InChIKey is NLEFTHZXUGMUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O4/c21-18-11-17(24(27)28)13-22(20(18)26)14-19(25)23(16-9-5-2-6-10-16)12-15-7-3-1-4-8-15/h1-11,13H,12,14H2.
What are the key properties of N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide?
N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide has a molecular weight of 442.27 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide is sourced from PubChem (CID 71856381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).