3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide

C13H8Cl2N2O4 — CID 4164667

IUPAC3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O4/c14-9-3-1-7(5-10(9)15)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,(H,16,19)
InChIKeyJXBIHSIBDSAUFE-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.86
Rot. Bonds3

About 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide

3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 4164667) has the molecular formula C13H8Cl2N2O4 and a molecular weight of 327.12 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID4164667
Molecular FormulaC13H8Cl2N2O4
Molecular Weight327.12 g/mol
Exact Mass325.99
IUPAC Name3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O4/c14-9-3-1-7(5-10(9)15)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,(H,16,19)
InChIKeyJXBIHSIBDSAUFE-UHFFFAOYSA-N
XLogP3.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 4164667) is 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is JXBIHSIBDSAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O4/c14-9-3-1-7(5-10(9)15)13(19)16-11-6-8(17(20)21)2-4-12(11)18/h1-6,18H,(H,16,19).
What are the key properties of 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide?
3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 327.12 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 4164667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).