2,4-difluoro-N-(2-nitrophenyl)benzamide

C13H8F2N2O3 — CID 4779161

IUPAC2,4-difluoro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyAJHDAGZAYQCRMV-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.13
Rot. Bonds3

About 2,4-difluoro-N-(2-nitrophenyl)benzamide

2,4-difluoro-N-(2-nitrophenyl)benzamide (PubChem CID 4779161) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-nitrophenyl)benzamide
PubChem CID4779161
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name2,4-difluoro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyAJHDAGZAYQCRMV-UHFFFAOYSA-N
XLogP3.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.13
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

2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
2,4-difluoro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 46655559
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-nitrophenyl)benzamide (CID 4779161) is 2,4-difluoro-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-nitrophenyl)benzamide?
The InChIKey is AJHDAGZAYQCRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18).
What are the key properties of 2,4-difluoro-N-(2-nitrophenyl)benzamide?
2,4-difluoro-N-(2-nitrophenyl)benzamide has a molecular weight of 278.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 4779161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).