2,4-dibromo-N-(2-nitrophenyl)benzamide

C13H8Br2N2O3 — CID 107951959

IUPAC2,4-dibromo-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br2N2O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyCGNSFQZEKWTVEN-UHFFFAOYSA-N
MW400.03 g/mol
LogP4.37
Rot. Bonds3

About 2,4-dibromo-N-(2-nitrophenyl)benzamide

2,4-dibromo-N-(2-nitrophenyl)benzamide (PubChem CID 107951959) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-nitrophenyl)benzamide
PubChem CID107951959
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name2,4-dibromo-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br2N2O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyCGNSFQZEKWTVEN-UHFFFAOYSA-N
XLogP4.37
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.03
LogP ≤ 54.37
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

2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103886725
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
2-bromo-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2896491
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-nitrophenyl)benzamide (CID 107951959) is 2,4-dibromo-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-nitrophenyl)benzamide?
The InChIKey is CGNSFQZEKWTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-8-5-6-9(10(15)7-8)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18).
What are the key properties of 2,4-dibromo-N-(2-nitrophenyl)benzamide?
2,4-dibromo-N-(2-nitrophenyl)benzamide has a molecular weight of 400.03 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 107951959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).