2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide

C13H9ClN2O4 — CID 115931016

IUPAC2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H9ClN2O4/c14-12-10(2-1-3-11(12)16(19)20)13(18)15-8-4-6-9(17)7-5-8/h1-7,17H,(H,15,18)
InChIKeyJZQQKVUKHQGRLV-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide

2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide (PubChem CID 115931016) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
PubChem CID115931016
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H9ClN2O4/c14-12-10(2-1-3-11(12)16(19)20)13(18)15-8-4-6-9(17)7-5-8/h1-7,17H,(H,15,18)
InChIKeyJZQQKVUKHQGRLV-UHFFFAOYSA-N
XLogP3.21
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
CID 115931324
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
CID 103977639
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide (CID 115931016) is 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide is O=C(Nc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide?
The InChIKey is JZQQKVUKHQGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-12-10(2-1-3-11(12)16(19)20)13(18)15-8-4-6-9(17)7-5-8/h1-7,17H,(H,15,18).
What are the key properties of 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide?
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide has a molecular weight of 292.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 115931016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).