2-bromo-3-fluoro-5-nitrobenzamide

C7H4BrFN2O3 — CID 130980263

IUPAC2-bromo-3-fluoro-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])cc(F)c1Br
InChIInChI=1S/C7H4BrFN2O3/c8-6-4(7(10)12)1-3(11(13)14)2-5(6)9/h1-2H,(H2,10,12)
InChIKeyVSZCQDRKYHIRMX-UHFFFAOYSA-N
MW263.02 g/mol
LogP1.60
Rot. Bonds2

About 2-bromo-3-fluoro-5-nitrobenzamide

2-bromo-3-fluoro-5-nitrobenzamide (PubChem CID 130980263) has the molecular formula C7H4BrFN2O3 and a molecular weight of 263.02 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-nitrobenzamide
PubChem CID130980263
Molecular FormulaC7H4BrFN2O3
Molecular Weight263.02 g/mol
Exact Mass261.94
IUPAC Name2-bromo-3-fluoro-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])cc(F)c1Br
InChIInChI=1S/C7H4BrFN2O3/c8-6-4(7(10)12)1-3(11(13)14)2-5(6)9/h1-2H,(H2,10,12)
InChIKeyVSZCQDRKYHIRMX-UHFFFAOYSA-N
XLogP1.60
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.02
LogP ≤ 51.60
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

1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161
3-carbamoyl-2-methyl-5-nitrobenzoic acid
CID 66586686
3-amino-2-methyl-5-nitrobenzamide
CID 19141
2-(cyclopropylmethyl)-5-nitrobenzene-1,3-dicarboxamide
CID 175326898
3,5-dinitrobenzamide;hydrochloride
CID 172864761
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
CID 91681710
2-(3-bromo-5-fluorophenoxy)-5-nitrobenzamide
CID 81314087
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
2-cyano-3-methyl-5-nitrobenzamide
CID 171028348
3-formyl-2-iodo-5-nitrobenzamide
CID 171016570
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-5-nitrobenzamide?
The IUPAC name of 2-bromo-3-fluoro-5-nitrobenzamide (CID 130980263) is 2-bromo-3-fluoro-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-3-fluoro-5-nitrobenzamide?
The canonical SMILES for 2-bromo-3-fluoro-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])cc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-5-nitrobenzamide?
The InChIKey is VSZCQDRKYHIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2O3/c8-6-4(7(10)12)1-3(11(13)14)2-5(6)9/h1-2H,(H2,10,12).
What are the key properties of 2-bromo-3-fluoro-5-nitrobenzamide?
2-bromo-3-fluoro-5-nitrobenzamide has a molecular weight of 263.02 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-5-nitrobenzamide is sourced from PubChem (CID 130980263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).