N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide

C14H10Br2N2O4 — CID 39166885

IUPACN-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2N2O4/c15-9-5-6-10(16)11(7-9)17-14(19)8-22-13-4-2-1-3-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyZFCNBUKACUMHPX-UHFFFAOYSA-N
MW430.05 g/mol
LogP4.14
Rot. Bonds5

About N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide

N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 39166885) has the molecular formula C14H10Br2N2O4 and a molecular weight of 430.05 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID39166885
Molecular FormulaC14H10Br2N2O4
Molecular Weight430.05 g/mol
Exact Mass427.90
IUPAC NameN-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2N2O4/c15-9-5-6-10(16)11(7-9)17-14(19)8-22-13-4-2-1-3-12(13)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyZFCNBUKACUMHPX-UHFFFAOYSA-N
XLogP4.14
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.05
LogP ≤ 54.14
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

N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(2-nitrophenoxy)acetamide
CID 3410125
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 7466857
4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26920313
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
2-(2-nitrophenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130922
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 1126054

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide (CID 39166885) is N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is ZFCNBUKACUMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O4/c15-9-5-6-10(16)11(7-9)17-14(19)8-22-13-4-2-1-3-12(13)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide?
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 430.05 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 39166885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).