2-(3-chloro-2-nitrophenoxy)benzamide

C13H9ClN2O4 — CID 104835314

IUPAC2-(3-chloro-2-nitrophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O4/c14-9-5-3-7-11(12(9)16(18)19)20-10-6-2-1-4-8(10)13(15)17/h1-7H,(H2,15,17)
InChIKeyVPAIGCFDZIQPCA-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-chloro-2-nitrophenoxy)benzamide

2-(3-chloro-2-nitrophenoxy)benzamide (PubChem CID 104835314) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-(3-chloro-2-nitrophenoxy)benzamide.

Molecular Properties

Compound Name2-(3-chloro-2-nitrophenoxy)benzamide
PubChem CID104835314
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-(3-chloro-2-nitrophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O4/c14-9-5-3-7-11(12(9)16(18)19)20-10-6-2-1-4-8(10)13(15)17/h1-7H,(H2,15,17)
InChIKeyVPAIGCFDZIQPCA-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-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
5-chloro-2-(3-chloro-2-nitrophenoxy)benzoic acid
CID 104839490
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
1-chloro-3-(2-methylsulfanylphenoxy)-2-nitrobenzene
CID 113458813
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
2-[3-chloro-2-(methylaminomethyl)phenoxy]benzamide
CID 43282446
3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
CID 104835444
(3-chloro-2-nitrophenyl) dihydrogen phosphate
CID 67408002
2-nitro-3-(2,4,5-trichlorophenoxy)aniline
CID 80863372
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
3-(4-bromo-2-chlorophenoxy)-2-nitrobenzoic acid
CID 115541000
2-(3-cyano-2-nitrophenoxy)benzoic acid
CID 104720137

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-nitrophenoxy)benzamide?
The IUPAC name of 2-(3-chloro-2-nitrophenoxy)benzamide (CID 104835314) is 2-(3-chloro-2-nitrophenoxy)benzamide.
What is the SMILES notation for 2-(3-chloro-2-nitrophenoxy)benzamide?
The canonical SMILES for 2-(3-chloro-2-nitrophenoxy)benzamide is NC(=O)c1ccccc1Oc1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-chloro-2-nitrophenoxy)benzamide?
The InChIKey is VPAIGCFDZIQPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-9-5-3-7-11(12(9)16(18)19)20-10-6-2-1-4-8(10)13(15)17/h1-7H,(H2,15,17).
What are the key properties of 2-(3-chloro-2-nitrophenoxy)benzamide?
2-(3-chloro-2-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-(3-chloro-2-nitrophenoxy)benzamide is sourced from PubChem (CID 104835314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).