3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide

C13H8Cl2N2O4 — CID 25217158

IUPAC3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O4/c14-9-6-8(17(20)21)2-3-11(9)16-13(19)7-1-4-12(18)10(15)5-7/h1-6,18H,(H,16,19)
InChIKeyHAOGMYWDAJHFJW-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.86
Rot. Bonds3

About 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide

3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide (PubChem CID 25217158) has the molecular formula C13H8Cl2N2O4 and a molecular weight of 327.12 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
PubChem CID25217158
Molecular FormulaC13H8Cl2N2O4
Molecular Weight327.12 g/mol
Exact Mass325.99
IUPAC Name3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O4/c14-9-6-8(17(20)21)2-3-11(9)16-13(19)7-1-4-12(18)10(15)5-7/h1-6,18H,(H,16,19)
InChIKeyHAOGMYWDAJHFJW-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
N-(2-chloro-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3835365
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
potassium 2-chloro-4-nitrophenol
CID 71150199
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide (CID 25217158) is 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide?
The InChIKey is HAOGMYWDAJHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O4/c14-9-6-8(17(20)21)2-3-11(9)16-13(19)7-1-4-12(18)10(15)5-7/h1-6,18H,(H,16,19).
What are the key properties of 3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide?
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide 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-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide is sourced from PubChem (CID 25217158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).