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

C13H9ClN2O4 — CID 9108833

IUPAC4-(4-chloro-2-nitrophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN2O4/c14-9-3-6-12(11(7-9)16(18)19)20-10-4-1-8(2-5-10)13(15)17/h1-7H,(H2,15,17)
InChIKeyXVQIWAJDEOMDON-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.14
Rot. Bonds4

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

4-(4-chloro-2-nitrophenoxy)benzamide (PubChem CID 9108833) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)benzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)benzamide
PubChem CID9108833
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name4-(4-chloro-2-nitrophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H9ClN2O4/c14-9-3-6-12(11(7-9)16(18)19)20-10-4-1-8(2-5-10)13(15)17/h1-7H,(H2,15,17)
InChIKeyXVQIWAJDEOMDON-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

4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
CID 78783374
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
methyl 2-[4-(4-chloro-2-nitrophenoxy)phenoxy]propanoate
CID 12883849
[2-(ethylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 2581235
4-(4-chloro-2-nitrophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 9227098
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
[2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 2581243
[4-(4-chloro-2-nitrophenoxy)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 26761253
[4-(4-chlorophenoxy)-3-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 2743488
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 29395314

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)benzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)benzamide (CID 9108833) is 4-(4-chloro-2-nitrophenoxy)benzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)benzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)benzamide is NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)benzamide?
The InChIKey is XVQIWAJDEOMDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-9-3-6-12(11(7-9)16(18)19)20-10-4-1-8(2-5-10)13(15)17/h1-7H,(H2,15,17).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)benzamide?
4-(4-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 4-(4-chloro-2-nitrophenoxy)benzamide is sourced from PubChem (CID 9108833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).