2-(2-chloro-4-nitrophenoxy)benzamide

C13H9ClN2O4 — CID 9251332

IUPAC2-(2-chloro-4-nitrophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-10-7-8(16(18)19)5-6-12(10)20-11-4-2-1-3-9(11)13(15)17/h1-7H,(H2,15,17)
InChIKeySDHVLVKKRJIMMQ-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-chloro-4-nitrophenoxy)benzamide

2-(2-chloro-4-nitrophenoxy)benzamide (PubChem CID 9251332) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)benzamide
PubChem CID9251332
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-(2-chloro-4-nitrophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-10-7-8(16(18)19)5-6-12(10)20-11-4-2-1-3-9(11)13(15)17/h1-7H,(H2,15,17)
InChIKeySDHVLVKKRJIMMQ-UHFFFAOYSA-N
XLogP3.14
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.14
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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Related Compounds

2-(3-chloro-2-nitrophenoxy)benzamide
CID 104835314
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
2-(4-carbamothioyl-2-chlorophenoxy)benzamide
CID 63088987
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-aminooxy-5-nitrobenzamide
CID 79421918
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
CID 114893295
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)benzamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)benzamide (CID 9251332) is 2-(2-chloro-4-nitrophenoxy)benzamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)benzamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)benzamide is NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)benzamide?
The InChIKey is SDHVLVKKRJIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-7-8(16(18)19)5-6-12(10)20-11-4-2-1-3-9(11)13(15)17/h1-7H,(H2,15,17).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)benzamide?
2-(2-chloro-4-nitrophenoxy)benzamide has a molecular weight of 292.68 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)benzamide is sourced from PubChem (CID 9251332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).