N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide

C18H12BrN3O4 — CID 52636946

IUPACN-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C18H12BrN3O4/c19-12-6-9-17(20-11-12)21-18(23)15-10-13(22(24)25)7-8-16(15)26-14-4-2-1-3-5-14/h1-11H,(H,20,21,23)
InChIKeyROJOLUSIKYZTHX-UHFFFAOYSA-N
MW414.22 g/mol
LogP4.80
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide

N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide (PubChem CID 52636946) has the molecular formula C18H12BrN3O4 and a molecular weight of 414.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
PubChem CID52636946
Molecular FormulaC18H12BrN3O4
Molecular Weight414.22 g/mol
Exact Mass413.00
IUPAC NameN-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C18H12BrN3O4/c19-12-6-9-17(20-11-12)21-18(23)15-10-13(22(24)25)7-8-16(15)26-14-4-2-1-3-5-14/h1-11H,(H,20,21,23)
InChIKeyROJOLUSIKYZTHX-UHFFFAOYSA-N
XLogP4.80
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
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

2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide
CID 3743697
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
CID 119386925
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60699295

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide (CID 52636946) is N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide is O=C(Nc1ccc(Br)cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide?
The InChIKey is ROJOLUSIKYZTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O4/c19-12-6-9-17(20-11-12)21-18(23)15-10-13(22(24)25)7-8-16(15)26-14-4-2-1-3-5-14/h1-11H,(H,20,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide?
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide has a molecular weight of 414.22 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide is sourced from PubChem (CID 52636946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).