N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide

C13H7F3N2O3 — CID 51971054

IUPACN-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
SMILESO=C(Nc1cccc(F)c1F)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7F3N2O3/c14-7-4-5-11(18(20)21)8(6-7)13(19)17-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,19)
InChIKeyYJHCPSZFMIKCPZ-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.26
Rot. Bonds3

About N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide

N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide (PubChem CID 51971054) has the molecular formula C13H7F3N2O3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
PubChem CID51971054
Molecular FormulaC13H7F3N2O3
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC NameN-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
SMILESO=C(Nc1cccc(F)c1F)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7F3N2O3/c14-7-4-5-11(18(20)21)8(6-7)13(19)17-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,19)
InChIKeyYJHCPSZFMIKCPZ-UHFFFAOYSA-N
XLogP3.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
CID 103733313
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
N-(2,3-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888089
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide
CID 15946131
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide?
The IUPAC name of N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide (CID 51971054) is N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide is O=C(Nc1cccc(F)c1F)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide?
The InChIKey is YJHCPSZFMIKCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3/c14-7-4-5-11(18(20)21)8(6-7)13(19)17-10-3-1-2-9(15)12(10)16/h1-6H,(H,17,19).
What are the key properties of N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide?
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide has a molecular weight of 296.20 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide is sourced from PubChem (CID 51971054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).