N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide

C13H8ClFN2O4 — CID 102741114

IUPACN-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C13H8ClFN2O4/c14-8-2-3-9(15)10(6-8)16-13(19)7-1-4-11(17(20)21)12(18)5-7/h1-6,18H,(H,16,19)
InChIKeyVMMFFZMJCGWBQO-UHFFFAOYSA-N
MW310.67 g/mol
LogP3.35
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide

N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 102741114) has the molecular formula C13H8ClFN2O4 and a molecular weight of 310.67 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
PubChem CID102741114
Molecular FormulaC13H8ClFN2O4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C13H8ClFN2O4/c14-8-2-3-9(15)10(6-8)16-13(19)7-1-4-11(17(20)21)12(18)5-7/h1-6,18H,(H,16,19)
InChIKeyVMMFFZMJCGWBQO-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-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
CID 61040669
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
N-(5-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601735
2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
CID 165346961
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(5-amino-2-fluorophenyl)-3-methyl-4-nitrobenzamide
CID 43600154
N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
CID 69363833
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
CID 62680232
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide (CID 102741114) is N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide is O=C(Nc1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is VMMFFZMJCGWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4/c14-8-2-3-9(15)10(6-8)16-13(19)7-1-4-11(17(20)21)12(18)5-7/h1-6,18H,(H,16,19).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide?
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-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-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 102741114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).