N-(2-bromo-4-chloro-6-nitrophenyl)formamide

C7H4BrClN2O3 — CID 168651183

IUPACN-(2-bromo-4-chloro-6-nitrophenyl)formamide
SMILESO=CNc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4BrClN2O3/c8-5-1-4(9)2-6(11(13)14)7(5)10-3-12/h1-3H,(H,10,12)
InChIKeyYNKOLMCSDFNWND-UHFFFAOYSA-N
MW279.48 g/mol
LogP2.58
Rot. Bonds3

About N-(2-bromo-4-chloro-6-nitrophenyl)formamide

N-(2-bromo-4-chloro-6-nitrophenyl)formamide (PubChem CID 168651183) has the molecular formula C7H4BrClN2O3 and a molecular weight of 279.48 g/mol. Its IUPAC name is N-(2-bromo-4-chloro-6-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(2-bromo-4-chloro-6-nitrophenyl)formamide
PubChem CID168651183
Molecular FormulaC7H4BrClN2O3
Molecular Weight279.48 g/mol
Exact Mass277.91
IUPAC NameN-(2-bromo-4-chloro-6-nitrophenyl)formamide
SMILESO=CNc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4BrClN2O3/c8-5-1-4(9)2-6(11(13)14)7(5)10-3-12/h1-3H,(H,10,12)
InChIKeyYNKOLMCSDFNWND-UHFFFAOYSA-N
XLogP2.58
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.48
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chloro-6-nitrophenyl)formamide?
The IUPAC name of N-(2-bromo-4-chloro-6-nitrophenyl)formamide (CID 168651183) is N-(2-bromo-4-chloro-6-nitrophenyl)formamide.
What is the SMILES notation for N-(2-bromo-4-chloro-6-nitrophenyl)formamide?
The canonical SMILES for N-(2-bromo-4-chloro-6-nitrophenyl)formamide is O=CNc1c(Br)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromo-4-chloro-6-nitrophenyl)formamide?
The InChIKey is YNKOLMCSDFNWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2O3/c8-5-1-4(9)2-6(11(13)14)7(5)10-3-12/h1-3H,(H,10,12).
What are the key properties of N-(2-bromo-4-chloro-6-nitrophenyl)formamide?
N-(2-bromo-4-chloro-6-nitrophenyl)formamide has a molecular weight of 279.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chloro-6-nitrophenyl)formamide is sourced from PubChem (CID 168651183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).