4,5-dichloro-2-nitrobenzamide

C7H4Cl2N2O3 — CID 69073651

IUPAC4,5-dichloro-2-nitrobenzamide
SMILESNC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4Cl2N2O3/c8-4-1-3(7(10)12)6(11(13)14)2-5(4)9/h1-2H,(H2,10,12)
InChIKeyYVUKUHREDBWHLJ-UHFFFAOYSA-N
MW235.03 g/mol
LogP2.00
Rot. Bonds2

About 4,5-dichloro-2-nitrobenzamide

4,5-dichloro-2-nitrobenzamide (PubChem CID 69073651) has the molecular formula C7H4Cl2N2O3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 4,5-dichloro-2-nitrobenzamide.

Molecular Properties

Compound Name4,5-dichloro-2-nitrobenzamide
PubChem CID69073651
Molecular FormulaC7H4Cl2N2O3
Molecular Weight235.03 g/mol
Exact Mass233.96
IUPAC Name4,5-dichloro-2-nitrobenzamide
SMILESNC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4Cl2N2O3/c8-4-1-3(7(10)12)6(11(13)14)2-5(4)9/h1-2H,(H2,10,12)
InChIKeyYVUKUHREDBWHLJ-UHFFFAOYSA-N
XLogP2.00
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 52.00
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

4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
1-(4,5-dichloro-2-nitrophenyl)-2,2,2-trifluoroethanone
CID 167314110
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
azanium 5-amino-4-chloro-2-nitrobenzoate
CID 132962458
2-amino-4,5-dinitrobenzamide
CID 119012907
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
5-formyl-4-iodo-2-nitrobenzamide
CID 171016571
4-formyl-5-iodo-2-nitrobenzamide
CID 171016271
1-(4-amino-5-chloro-2-nitrophenyl)-2-chloroethanone
CID 171022648
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-nitrobenzamide?
The IUPAC name of 4,5-dichloro-2-nitrobenzamide (CID 69073651) is 4,5-dichloro-2-nitrobenzamide.
What is the SMILES notation for 4,5-dichloro-2-nitrobenzamide?
The canonical SMILES for 4,5-dichloro-2-nitrobenzamide is NC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4,5-dichloro-2-nitrobenzamide?
The InChIKey is YVUKUHREDBWHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O3/c8-4-1-3(7(10)12)6(11(13)14)2-5(4)9/h1-2H,(H2,10,12).
What are the key properties of 4,5-dichloro-2-nitrobenzamide?
4,5-dichloro-2-nitrobenzamide has a molecular weight of 235.03 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-nitrobenzamide is sourced from PubChem (CID 69073651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).