N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide

C7H3Br2FN2O3 — CID 168651769

IUPACN-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide
SMILESO=CNc1c([N+](=O)[O-])cc(Br)c(F)c1Br
InChIInChI=1S/C7H3Br2FN2O3/c8-3-1-4(12(14)15)7(11-2-13)5(9)6(3)10/h1-2H,(H,11,13)
InChIKeyGUDLNHXVZJNFEJ-UHFFFAOYSA-N
MW341.92 g/mol
LogP2.83
Rot. Bonds3

About N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide

N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide (PubChem CID 168651769) has the molecular formula C7H3Br2FN2O3 and a molecular weight of 341.92 g/mol. Its IUPAC name is N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide
PubChem CID168651769
Molecular FormulaC7H3Br2FN2O3
Molecular Weight341.92 g/mol
Exact Mass339.85
IUPAC NameN-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide
SMILESO=CNc1c([N+](=O)[O-])cc(Br)c(F)c1Br
InChIInChI=1S/C7H3Br2FN2O3/c8-3-1-4(12(14)15)7(11-2-13)5(9)6(3)10/h1-2H,(H,11,13)
InChIKeyGUDLNHXVZJNFEJ-UHFFFAOYSA-N
XLogP2.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.92
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-chloro-6-nitrophenyl)formamide
CID 168651183
3-(2,4-dibromo-3-fluoro-6-nitroanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169346290
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
3-bromo-4-formamido-5-nitrobenzamide
CID 168654272
N-(4-bromo-2,3-difluoro-6-nitrophenyl)-2-cyanoacetamide
CID 168522473
1-(4-bromo-2,3-difluoro-6-nitroanilino)-2-methylpropan-2-ol
CID 135339733
1-[(4-bromo-2,3-difluoro-6-nitroanilino)methyl]cyclobutan-1-ol
CID 171735073
2-amino-5-bromo-6-fluoro-3-nitrobenzonitrile
CID 86662399
1-bromo-2,3-difluoro-4-methoxy-5-nitrobenzene
CID 99770301
2-bromo-4-fluoro-N-methyl-6-nitroaniline
CID 119017200
2-[(2-bromo-3,4-difluoro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341384
N-[2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitrophenyl]formamide
CID 168653971

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide?
The IUPAC name of N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide (CID 168651769) is N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide.
What is the SMILES notation for N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide?
The canonical SMILES for N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide is O=CNc1c([N+](=O)[O-])cc(Br)c(F)c1Br.
What is the InChIKey of N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide?
The InChIKey is GUDLNHXVZJNFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2FN2O3/c8-3-1-4(12(14)15)7(11-2-13)5(9)6(3)10/h1-2H,(H,11,13).
What are the key properties of N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide?
N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide has a molecular weight of 341.92 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide is sourced from PubChem (CID 168651769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).