2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide

C13H9ClN2O4 — CID 107681178

IUPAC2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-9-5-2-1-4-8(9)13(18)15-12-10(16(19)20)6-3-7-11(12)17/h1-7,17H,(H,15,18)
InChIKeyGBYTWTYOGUYMOG-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide

2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide (PubChem CID 107681178) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
PubChem CID107681178
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-9-5-2-1-4-8(9)13(18)15-12-10(16(19)20)6-3-7-11(12)17/h1-7,17H,(H,15,18)
InChIKeyGBYTWTYOGUYMOG-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': 'catechol', '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-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321
N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107076664
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681100
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide (CID 107681178) is 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide?
The InChIKey is GBYTWTYOGUYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-9-5-2-1-4-8(9)13(18)15-12-10(16(19)20)6-3-7-11(12)17/h1-7,17H,(H,15,18).
What are the key properties of 2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide?
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide 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-(2-hydroxy-6-nitrophenyl)benzamide is sourced from PubChem (CID 107681178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).