N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide

C24H15BrClN3O5 — CID 3743697

IUPACN-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H15BrClN3O5/c25-16-6-9-23(27-14-16)28-24(30)15-4-7-19(8-5-15)33-21-11-18(29(31)32)12-22(13-21)34-20-3-1-2-17(26)10-20/h1-14H,(H,27,28,30)
InChIKeyJXUOBJQQDROYGR-UHFFFAOYSA-N
MW540.76 g/mol
LogP7.24
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide

N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide (PubChem CID 3743697) has the molecular formula C24H15BrClN3O5 and a molecular weight of 540.76 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide
PubChem CID3743697
Molecular FormulaC24H15BrClN3O5
Molecular Weight540.76 g/mol
Exact Mass538.99
IUPAC NameN-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H15BrClN3O5/c25-16-6-9-23(27-14-16)28-24(30)15-4-7-19(8-5-15)33-21-11-18(29(31)32)12-22(13-21)34-20-3-1-2-17(26)10-20/h1-14H,(H,27,28,30)
InChIKeyJXUOBJQQDROYGR-UHFFFAOYSA-N
XLogP7.24
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.76
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[3-(3-chlorophenoxy)-5-nitrophenoxy]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 30449264
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
CID 52636946
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
N-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521731
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
N-(5-bromo-2-pyridinyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 2281367
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
6-[[3-(3-chlorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 54585589
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
CID 11990480

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide (CID 3743697) is N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide is O=C(Nc1ccc(Br)cn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide?
The InChIKey is JXUOBJQQDROYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrClN3O5/c25-16-6-9-23(27-14-16)28-24(30)15-4-7-19(8-5-15)33-21-11-18(29(31)32)12-22(13-21)34-20-3-1-2-17(26)10-20/h1-14H,(H,27,28,30).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide?
N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide has a molecular weight of 540.76 g/mol, XLogP of 7.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide is sourced from PubChem (CID 3743697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).