2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide

C14H10BrFN2O4 — CID 1338216

IUPAC2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H10BrFN2O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-7-10(18(20)21)3-6-12(13)16/h1-7H,8H2,(H,17,19)
InChIKeyBGTYHRICJSPLQU-UHFFFAOYSA-N
MW369.15 g/mol
LogP3.51
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide

2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 1338216) has the molecular formula C14H10BrFN2O4 and a molecular weight of 369.15 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID1338216
Molecular FormulaC14H10BrFN2O4
Molecular Weight369.15 g/mol
Exact Mass367.98
IUPAC Name2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H10BrFN2O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-7-10(18(20)21)3-6-12(13)16/h1-7H,8H2,(H,17,19)
InChIKeyBGTYHRICJSPLQU-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-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2601605
2-(3-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7818423
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583307
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2523110
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 35975273
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 1338216) is 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide is O=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is BGTYHRICJSPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-7-10(18(20)21)3-6-12(13)16/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide?
2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)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 2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 1338216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).