N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide

C13H7BrF2N2O3 — CID 81495048

IUPACN-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1cccc(F)c1F
InChIInChI=1S/C13H7BrF2N2O3/c14-9-5-4-7(18(20)21)6-11(9)17-13(19)8-2-1-3-10(15)12(8)16/h1-6H,(H,17,19)
InChIKeyNPEHGHYNTLRZDB-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.89
Rot. Bonds3

About N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide

N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide (PubChem CID 81495048) has the molecular formula C13H7BrF2N2O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
PubChem CID81495048
Molecular FormulaC13H7BrF2N2O3
Molecular Weight357.11 g/mol
Exact Mass355.96
IUPAC NameN-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1cccc(F)c1F
InChIInChI=1S/C13H7BrF2N2O3/c14-9-5-4-7(18(20)21)6-11(9)17-13(19)8-2-1-3-10(15)12(8)16/h1-6H,(H,17,19)
InChIKeyNPEHGHYNTLRZDB-UHFFFAOYSA-N
XLogP3.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.89
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

2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
4-amino-N-(2-bromo-5-nitrophenyl)-2-fluorobenzamide
CID 107794756
2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
CID 103741282
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide
CID 106854180
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
2-(2-bromo-6-fluoroanilino)-4-nitrobenzoic acid
CID 107600924

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide?
The IUPAC name of N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide (CID 81495048) is N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Br)c1cccc(F)c1F.
What is the InChIKey of N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide?
The InChIKey is NPEHGHYNTLRZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2O3/c14-9-5-4-7(18(20)21)6-11(9)17-13(19)8-2-1-3-10(15)12(8)16/h1-6H,(H,17,19).
What are the key properties of N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide?
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide has a molecular weight of 357.11 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide is sourced from PubChem (CID 81495048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).