2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide

C18H12ClN3O4 — CID 58737219

IUPAC2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H12ClN3O4/c19-16-9-6-13(22(24)25)11-15(16)18(23)21-12-4-7-14(8-5-12)26-17-3-1-2-10-20-17/h1-11H,(H,21,23)
InChIKeyXRLGUEOILIPARP-UHFFFAOYSA-N
MW369.76 g/mol
LogP4.69
Rot. Bonds5

About 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide

2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide (PubChem CID 58737219) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide
PubChem CID58737219
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC Name2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H12ClN3O4/c19-16-9-6-13(22(24)25)11-15(16)18(23)21-12-4-7-14(8-5-12)26-17-3-1-2-10-20-17/h1-11H,(H,21,23)
InChIKeyXRLGUEOILIPARP-UHFFFAOYSA-N
XLogP4.69
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 54.69
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-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
2-chloro-5-nitro-N-(4-pentoxyphenyl)benzamide
CID 19171139
N-[2-(4-benzamidophenoxy)ethyl]-2-chloro-5-nitrobenzamide
CID 139950405
2-chloro-5-nitro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1114790
2-chloro-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 78955439
2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
CID 103793429
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
CID 46568580
2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 130176587
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide (CID 58737219) is 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide?
The InChIKey is XRLGUEOILIPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-16-9-6-13(22(24)25)11-15(16)18(23)21-12-4-7-14(8-5-12)26-17-3-1-2-10-20-17/h1-11H,(H,21,23).
What are the key properties of 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide?
2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide has a molecular weight of 369.76 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 58737219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).