3,5-dichloro-4-nitrobenzamide

C7H4Cl2N2O3 — CID 121228420

IUPAC3,5-dichloro-4-nitrobenzamide
SMILESNC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C7H4Cl2N2O3/c8-4-1-3(7(10)12)2-5(9)6(4)11(13)14/h1-2H,(H2,10,12)
InChIKeyHSLCHLCPHAYEGQ-UHFFFAOYSA-N
MW235.03 g/mol
LogP2.00
Rot. Bonds2

About 3,5-dichloro-4-nitrobenzamide

3,5-dichloro-4-nitrobenzamide (PubChem CID 121228420) has the molecular formula C7H4Cl2N2O3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 3,5-dichloro-4-nitrobenzamide.

Molecular Properties

Compound Name3,5-dichloro-4-nitrobenzamide
PubChem CID121228420
Molecular FormulaC7H4Cl2N2O3
Molecular Weight235.03 g/mol
Exact Mass233.96
IUPAC Name3,5-dichloro-4-nitrobenzamide
SMILESNC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C7H4Cl2N2O3/c8-4-1-3(7(10)12)2-5(9)6(4)11(13)14/h1-2H,(H2,10,12)
InChIKeyHSLCHLCPHAYEGQ-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

methyl 3,5-dichloro-4-nitrobenzoate
CID 131863205
3,5-dinitrobenzamide;hydrochloride
CID 172864761
3-amino-4,5-dinitrobenzamide
CID 131501988
3,5-dichloro-4-iodobenzamide
CID 50849721
1-(3-chloro-5-fluoro-4-nitrophenyl)-2,2,2-trifluoroethanone
CID 167314125
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
1-(3-chloro-5-fluoro-4-nitrophenyl)ethanone
CID 171007567
N-(3,5-dichloro-4-nitrophenyl)carbamoyl chloride
CID 22150912
3-chloro-5-nitro-4-(propylamino)benzamide
CID 62167214
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
5-acetyl-3-chloro-2-nitrobenzaldehyde
CID 171004390

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-nitrobenzamide?
The IUPAC name of 3,5-dichloro-4-nitrobenzamide (CID 121228420) is 3,5-dichloro-4-nitrobenzamide.
What is the SMILES notation for 3,5-dichloro-4-nitrobenzamide?
The canonical SMILES for 3,5-dichloro-4-nitrobenzamide is NC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-nitrobenzamide?
The InChIKey is HSLCHLCPHAYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O3/c8-4-1-3(7(10)12)2-5(9)6(4)11(13)14/h1-2H,(H2,10,12).
What are the key properties of 3,5-dichloro-4-nitrobenzamide?
3,5-dichloro-4-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 3,5-dichloro-4-nitrobenzamide is sourced from PubChem (CID 121228420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).