2,6-difluoro-N-(4-nitrophenyl)benzamide

C13H8F2N2O3 — CID 2841260

IUPAC2,6-difluoro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F
InChIInChI=1S/C13H8F2N2O3/c14-10-2-1-3-11(15)12(10)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18)
InChIKeyKPUOTLVWJHMQEX-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.13
Rot. Bonds3

About 2,6-difluoro-N-(4-nitrophenyl)benzamide

2,6-difluoro-N-(4-nitrophenyl)benzamide (PubChem CID 2841260) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-nitrophenyl)benzamide
PubChem CID2841260
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name2,6-difluoro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F
InChIInChI=1S/C13H8F2N2O3/c14-10-2-1-3-11(15)12(10)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18)
InChIKeyKPUOTLVWJHMQEX-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

2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate
CID 57286081
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
tert-butyl N-[[4-[(2,6-difluorobenzoyl)amino]phenyl]methyl]carbamate;tert-butyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate;2,6-difluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 158210882
4-(2,6-difluorophenyl)-6-methyl-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 5084339
3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-nitrophenyl)benzamide (CID 2841260) is 2,6-difluoro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-nitrophenyl)benzamide?
The InChIKey is KPUOTLVWJHMQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-10-2-1-3-11(15)12(10)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of 2,6-difluoro-N-(4-nitrophenyl)benzamide?
2,6-difluoro-N-(4-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 2,6-difluoro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 2841260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).