2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide

C9H5Br2N3O3 — CID 168523210

IUPAC2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
SMILESN#CCC(=O)Nc1cc(Br)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H5Br2N3O3/c10-5-4-8(14(16)17)6(11)3-7(5)13-9(15)1-2-12/h3-4H,1H2,(H,13,15)
InChIKeyVGRXDCPPYQHBBA-UHFFFAOYSA-N
MW362.97 g/mol
LogP2.97
Rot. Bonds3

About 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide

2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide (PubChem CID 168523210) has the molecular formula C9H5Br2N3O3 and a molecular weight of 362.97 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
PubChem CID168523210
Molecular FormulaC9H5Br2N3O3
Molecular Weight362.97 g/mol
Exact Mass360.87
IUPAC Name2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
SMILESN#CCC(=O)Nc1cc(Br)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H5Br2N3O3/c10-5-4-8(14(16)17)6(11)3-7(5)13-9(15)1-2-12/h3-4H,1H2,(H,13,15)
InChIKeyVGRXDCPPYQHBBA-UHFFFAOYSA-N
XLogP2.97
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.97
LogP ≤ 52.97
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-bromo-4-methyl-5-nitrophenyl)-2-cyanoacetamide
CID 113456286
2-(2,5-dibromo-4-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168609602
N-(4-bromo-2,3-difluoro-6-nitrophenyl)-2-cyanoacetamide
CID 168522473
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-(2,5-dichloro-4-nitrophenyl)acetamide
CID 168520132
2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
CID 168523564
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
(2,5-dibromo-4-nitrophenyl)thiourea
CID 87096125
methyl 5-bromo-2-[(2-cyanoacetyl)amino]-6-fluoro-3-nitrobenzoate
CID 168523695
2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
CID 91681073
N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 168520302

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide (CID 168523210) is 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide is N#CCC(=O)Nc1cc(Br)c([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide?
The InChIKey is VGRXDCPPYQHBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N3O3/c10-5-4-8(14(16)17)6(11)3-7(5)13-9(15)1-2-12/h3-4H,1H2,(H,13,15).
What are the key properties of 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide?
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide has a molecular weight of 362.97 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide is sourced from PubChem (CID 168523210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).