N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide

C13H8ClFN2O4 — CID 107076664

IUPACN-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(Nc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H8ClFN2O4/c14-8-4-2-5-9(15)11(8)16-13(19)7-3-1-6-10(12(7)18)17(20)21/h1-6,18H,(H,16,19)
InChIKeyXOIDWCBHHHBJFV-UHFFFAOYSA-N
MW310.67 g/mol
LogP3.35
Rot. Bonds3

About N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide

N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 107076664) has the molecular formula C13H8ClFN2O4 and a molecular weight of 310.67 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID107076664
Molecular FormulaC13H8ClFN2O4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC NameN-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
SMILESO=C(Nc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H8ClFN2O4/c14-8-4-2-5-9(15)11(8)16-13(19)7-3-1-6-10(12(7)18)17(20)21/h1-6,18H,(H,16,19)
InChIKeyXOIDWCBHHHBJFV-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-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
CID 103875064
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-but-3-ynyl-2-hydroxy-3-nitrobenzamide
CID 113264555
N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
CID 10064754

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide (CID 107076664) is N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide is O=C(Nc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is XOIDWCBHHHBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4/c14-8-4-2-5-9(15)11(8)16-13(19)7-3-1-6-10(12(7)18)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide?
N-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 107076664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).