N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide

C13H7BrF2N2O3 — CID 107121691

IUPACN-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C13H7BrF2N2O3/c14-7-2-1-3-9(4-7)17-13(19)10-5-8(15)6-11(12(10)16)18(20)21/h1-6H,(H,17,19)
InChIKeyBINVKVJUIJEZSE-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.89
Rot. Bonds3

About N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide

N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide (PubChem CID 107121691) has the molecular formula C13H7BrF2N2O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
PubChem CID107121691
Molecular FormulaC13H7BrF2N2O3
Molecular Weight357.11 g/mol
Exact Mass355.96
IUPAC NameN-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C13H7BrF2N2O3/c14-7-2-1-3-9(4-7)17-13(19)10-5-8(15)6-11(12(10)16)18(20)21/h1-6H,(H,17,19)
InChIKeyBINVKVJUIJEZSE-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

N-(4-bromo-2-pyridinyl)-2,5-difluoro-3-nitrobenzamide
CID 107122453
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
2,5-difluoro-N-hydroxy-3-nitrobenzamide
CID 107122467
5-amino-N-(3-bromophenyl)-2-nitrobenzamide
CID 62154023
N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
CID 110317083
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
N-(3-bromophenyl)-3-fluoro-4-methyl-5-nitrobenzamide
CID 46487800
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide
CID 156635606
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide?
The IUPAC name of N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide (CID 107121691) is N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide?
The canonical SMILES for N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide is O=C(Nc1cccc(Br)c1)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide?
The InChIKey is BINVKVJUIJEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2O3/c14-7-2-1-3-9(4-7)17-13(19)10-5-8(15)6-11(12(10)16)18(20)21/h1-6H,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide?
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide 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-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide is sourced from PubChem (CID 107121691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).