N-(5-bromo-4-fluoro-2-nitrophenyl)formamide

C7H4BrFN2O3 — CID 168651397

IUPACN-(5-bromo-4-fluoro-2-nitrophenyl)formamide
SMILESO=CNc1cc(Br)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4BrFN2O3/c8-4-1-6(10-3-12)7(11(13)14)2-5(4)9/h1-3H,(H,10,12)
InChIKeyXJIKKTGNCSLDBO-UHFFFAOYSA-N
MW263.02 g/mol
LogP2.06
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-nitrophenyl)formamide

N-(5-bromo-4-fluoro-2-nitrophenyl)formamide (PubChem CID 168651397) has the molecular formula C7H4BrFN2O3 and a molecular weight of 263.02 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-nitrophenyl)formamide
PubChem CID168651397
Molecular FormulaC7H4BrFN2O3
Molecular Weight263.02 g/mol
Exact Mass261.94
IUPAC NameN-(5-bromo-4-fluoro-2-nitrophenyl)formamide
SMILESO=CNc1cc(Br)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4BrFN2O3/c8-4-1-6(10-3-12)7(11(13)14)2-5(4)9/h1-3H,(H,10,12)
InChIKeyXJIKKTGNCSLDBO-UHFFFAOYSA-N
XLogP2.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.02
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

5-bromo-4-fluoro-2-nitro-N-prop-2-enylaniline
CID 116737100
5-bromo-4-fluoro-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 116736900
5-bromo-N-but-3-en-2-yl-4-fluoro-2-nitroaniline
CID 116737336
5-bromo-N-but-2-ynyl-4-fluoro-2-nitroaniline
CID 116737320
N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide
CID 168654266
5-bromo-N-(2-cyclopropylethyl)-4-fluoro-2-nitroaniline
CID 116737213
5-bromo-4-fluoro-2-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 116737267
5-bromo-4-fluoro-N-[(4-fluorophenyl)methyl]-2-nitroaniline
CID 116736904
N-(5-bromo-4-fluoro-2-nitrophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116739492
N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide
CID 168651769
3-(5-bromo-4-fluoro-2-nitroanilino)-4,4-dimethylpentan-1-ol
CID 106350836
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-fluoro-2-nitroaniline
CID 116739576

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-nitrophenyl)formamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-nitrophenyl)formamide (CID 168651397) is N-(5-bromo-4-fluoro-2-nitrophenyl)formamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-nitrophenyl)formamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-nitrophenyl)formamide is O=CNc1cc(Br)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromo-4-fluoro-2-nitrophenyl)formamide?
The InChIKey is XJIKKTGNCSLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2O3/c8-4-1-6(10-3-12)7(11(13)14)2-5(4)9/h1-3H,(H,10,12).
What are the key properties of N-(5-bromo-4-fluoro-2-nitrophenyl)formamide?
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide has a molecular weight of 263.02 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-nitrophenyl)formamide is sourced from PubChem (CID 168651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).