4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide

C13H9Br2N3O3 — CID 60628101

IUPAC4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9Br2N3O3/c14-8-2-4-11(9(15)6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyYZQFPJGELDGZJU-UHFFFAOYSA-N
MW415.04 g/mol
LogP3.95
Rot. Bonds3

About 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide

4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide (PubChem CID 60628101) has the molecular formula C13H9Br2N3O3 and a molecular weight of 415.04 g/mol. Its IUPAC name is 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
PubChem CID60628101
Molecular FormulaC13H9Br2N3O3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC Name4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9Br2N3O3/c14-8-2-4-11(9(15)6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyYZQFPJGELDGZJU-UHFFFAOYSA-N
XLogP3.95
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215688
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
3-amino-4-bromo-N-(4-methyl-2-nitrophenyl)benzamide
CID 107812904
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
N-(4-bromo-2-methylphenyl)-3-fluoro-4-nitrobenzamide
CID 62681982

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide (CID 60628101) is 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide is Nc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide?
The InChIKey is YZQFPJGELDGZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O3/c14-8-2-4-11(9(15)6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide?
4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide has a molecular weight of 415.04 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide is sourced from PubChem (CID 60628101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).