2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide

C13H7F3N2O3 — CID 115736092

IUPAC2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H7F3N2O3/c14-7-1-3-8(4-2-7)17-13(19)9-5-11(16)12(18(20)21)6-10(9)15/h1-6H,(H,17,19)
InChIKeySCJPWUBHSPCFGS-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.26
Rot. Bonds3

About 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide

2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide (PubChem CID 115736092) has the molecular formula C13H7F3N2O3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
PubChem CID115736092
Molecular FormulaC13H7F3N2O3
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H7F3N2O3/c14-7-1-3-8(4-2-7)17-13(19)9-5-11(16)12(18(20)21)6-10(9)15/h1-6H,(H,17,19)
InChIKeySCJPWUBHSPCFGS-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

2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115750799
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 91590330
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
CID 106912364

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide (CID 115736092) is 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide is O=C(Nc1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide?
The InChIKey is SCJPWUBHSPCFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3/c14-7-1-3-8(4-2-7)17-13(19)9-5-11(16)12(18(20)21)6-10(9)15/h1-6H,(H,17,19).
What are the key properties of 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide?
2,5-difluoro-N-(4-fluorophenyl)-4-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 2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 115736092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).