N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide

C14H10BrFN2O4 — CID 7865411

IUPACN-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O4/c15-9-4-5-13(12(16)6-9)17-14(19)8-22-11-3-1-2-10(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyOXQLQFXNPSFSTG-UHFFFAOYSA-N
MW369.15 g/mol
LogP3.51
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide

N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 7865411) has the molecular formula C14H10BrFN2O4 and a molecular weight of 369.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
PubChem CID7865411
Molecular FormulaC14H10BrFN2O4
Molecular Weight369.15 g/mol
Exact Mass367.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O4/c15-9-4-5-13(12(16)6-9)17-14(19)8-22-11-3-1-2-10(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyOXQLQFXNPSFSTG-UHFFFAOYSA-N
XLogP3.51
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7818423
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 1338216
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865526
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2466626
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide (CID 7865411) is N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is OXQLQFXNPSFSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O4/c15-9-4-5-13(12(16)6-9)17-14(19)8-22-11-3-1-2-10(7-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 369.15 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 7865411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).