2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide

C13H8ClFN2O4 — CID 107681321

IUPAC2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccc(F)c1Cl
InChIInChI=1S/C13H8ClFN2O4/c14-11-7(3-1-4-8(11)15)13(19)16-12-9(17(20)21)5-2-6-10(12)18/h1-6,18H,(H,16,19)
InChIKeyHYWPNWSDPNWVNY-UHFFFAOYSA-N
MW310.67 g/mol
LogP3.35
Rot. Bonds3

About 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide

2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide (PubChem CID 107681321) has the molecular formula C13H8ClFN2O4 and a molecular weight of 310.67 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
PubChem CID107681321
Molecular FormulaC13H8ClFN2O4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC Name2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccc(F)c1Cl
InChIInChI=1S/C13H8ClFN2O4/c14-11-7(3-1-4-8(11)15)13(19)16-12-9(17(20)21)5-2-6-10(12)18/h1-6,18H,(H,16,19)
InChIKeyHYWPNWSDPNWVNY-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': '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-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107076664
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide (CID 107681321) is 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide?
The InChIKey is HYWPNWSDPNWVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4/c14-11-7(3-1-4-8(11)15)13(19)16-12-9(17(20)21)5-2-6-10(12)18/h1-6,18H,(H,16,19).
What are the key properties of 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide?
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide 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 2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide is sourced from PubChem (CID 107681321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).