3-bromo-4-formamido-5-nitrobenzamide

C8H6BrN3O4 — CID 168654272

IUPAC3-bromo-4-formamido-5-nitrobenzamide
SMILESNC(=O)c1cc(Br)c(NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6BrN3O4/c9-5-1-4(8(10)14)2-6(12(15)16)7(5)11-3-13/h1-3H,(H2,10,14)(H,11,13)
InChIKeyCFKVFTHHXDTQGZ-UHFFFAOYSA-N
MW288.06 g/mol
LogP1.02
Rot. Bonds4

About 3-bromo-4-formamido-5-nitrobenzamide

3-bromo-4-formamido-5-nitrobenzamide (PubChem CID 168654272) has the molecular formula C8H6BrN3O4 and a molecular weight of 288.06 g/mol. Its IUPAC name is 3-bromo-4-formamido-5-nitrobenzamide.

Molecular Properties

Compound Name3-bromo-4-formamido-5-nitrobenzamide
PubChem CID168654272
Molecular FormulaC8H6BrN3O4
Molecular Weight288.06 g/mol
Exact Mass286.95
IUPAC Name3-bromo-4-formamido-5-nitrobenzamide
SMILESNC(=O)c1cc(Br)c(NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6BrN3O4/c9-5-1-4(8(10)14)2-6(12(15)16)7(5)11-3-13/h1-3H,(H2,10,14)(H,11,13)
InChIKeyCFKVFTHHXDTQGZ-UHFFFAOYSA-N
XLogP1.02
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-bromo-5-nitro-4-(propylamino)benzamide
CID 147751999
N-(2-bromo-4-chloro-6-nitrophenyl)formamide
CID 168651183
N-(2,4-dibromo-3-fluoro-6-nitrophenyl)formamide
CID 168651769
4-[(1-amino-2-chloroethylidene)amino]-3-bromo-5-nitrobenzamide
CID 169366418
N-[2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitrophenyl]formamide
CID 168653971
3-bromo-4-[2-(dicyanomethylidene)hydrazinyl]-5-nitrobenzoic acid
CID 169338480
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
4-bromo-3-formamido-6-methyl-2-nitrobenzoic acid
CID 87396056
3-amino-4,5-dinitrobenzamide
CID 131501988
2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide
CID 139788843
3-chloro-5-nitro-4-(propylamino)benzamide
CID 62167214
3-bromo-4-(2,3-dihydroxypropylamino)-5-nitrobenzoic acid
CID 168597480

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-formamido-5-nitrobenzamide?
The IUPAC name of 3-bromo-4-formamido-5-nitrobenzamide (CID 168654272) is 3-bromo-4-formamido-5-nitrobenzamide.
What is the SMILES notation for 3-bromo-4-formamido-5-nitrobenzamide?
The canonical SMILES for 3-bromo-4-formamido-5-nitrobenzamide is NC(=O)c1cc(Br)c(NC=O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-4-formamido-5-nitrobenzamide?
The InChIKey is CFKVFTHHXDTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O4/c9-5-1-4(8(10)14)2-6(12(15)16)7(5)11-3-13/h1-3H,(H2,10,14)(H,11,13).
What are the key properties of 3-bromo-4-formamido-5-nitrobenzamide?
3-bromo-4-formamido-5-nitrobenzamide has a molecular weight of 288.06 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-formamido-5-nitrobenzamide is sourced from PubChem (CID 168654272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).