2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide

C19H13ClN2O4 — CID 1222721

IUPAC2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H13ClN2O4/c20-16-11-10-13(22(24)25)12-15(16)19(23)21-17-8-4-5-9-18(17)26-14-6-2-1-3-7-14/h1-12H,(H,21,23)
InChIKeyUUHNXOUEZWLGNL-UHFFFAOYSA-N
MW368.78 g/mol
LogP5.29
Rot. Bonds5

About 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide

2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide (PubChem CID 1222721) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide
PubChem CID1222721
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H13ClN2O4/c20-16-11-10-13(22(24)25)12-15(16)19(23)21-17-8-4-5-9-18(17)26-14-6-2-1-3-7-14/h1-12H,(H,21,23)
InChIKeyUUHNXOUEZWLGNL-UHFFFAOYSA-N
XLogP5.29
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.78
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide (CID 1222721) is 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is UUHNXOUEZWLGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c20-16-11-10-13(22(24)25)12-15(16)19(23)21-17-8-4-5-9-18(17)26-14-6-2-1-3-7-14/h1-12H,(H,21,23).
What are the key properties of 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide?
2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 368.78 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 1222721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).