N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide

C13H8ClFN2O4 — CID 103875003

IUPACN-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H8ClFN2O4/c14-7-4-5-10(9(15)6-7)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19)
InChIKeyMBXVJFJAUNSVRX-UHFFFAOYSA-N
MW310.67 g/mol
LogP3.35
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide

N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 103875003) has the molecular formula C13H8ClFN2O4 and a molecular weight of 310.67 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID103875003
Molecular FormulaC13H8ClFN2O4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H8ClFN2O4/c14-7-4-5-10(9(15)6-7)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19)
InChIKeyMBXVJFJAUNSVRX-UHFFFAOYSA-N
XLogP3.35
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 53.35
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-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
CID 103875064
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107076664
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
CID 10064754
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
2-hydroxy-3-nitrobenzohydrazide
CID 11367606

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide (CID 103875003) is N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide is O=C(Nc1ccc(Cl)cc1F)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is MBXVJFJAUNSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4/c14-7-4-5-10(9(15)6-7)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide has a molecular weight of 310.67 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 103875003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).