N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide

C14H10BrFN2O3 — CID 43246952

IUPACN-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H10BrFN2O3/c15-12-8-10(16)3-6-13(12)17-14(19)7-9-1-4-11(5-2-9)18(20)21/h1-6,8H,7H2,(H,17,19)
InChIKeyBMIDYGJCYKQMMW-UHFFFAOYSA-N
MW353.15 g/mol
LogP3.68
Rot. Bonds4

About N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide

N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 43246952) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide
PubChem CID43246952
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H10BrFN2O3/c15-12-8-10(16)3-6-13(12)17-14(19)7-9-1-4-11(5-2-9)18(20)21/h1-6,8H,7H2,(H,17,19)
InChIKeyBMIDYGJCYKQMMW-UHFFFAOYSA-N
XLogP3.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 53.68
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-(2-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 43134285
1-(2,4-difluorophenyl)-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea
CID 2206096
2-(2-bromo-4-fluoroanilino)-1-(4-nitrophenyl)ethanol
CID 115344898
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
N-(2-bromo-4-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 62503410
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
CID 115648809
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide (CID 43246952) is N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is BMIDYGJCYKQMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c15-12-8-10(16)3-6-13(12)17-14(19)7-9-1-4-11(5-2-9)18(20)21/h1-6,8H,7H2,(H,17,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide?
N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 353.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 43246952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).