2,4-dichloro-5-methoxy-3-nitrobenzamide

C8H6Cl2N2O4 — CID 175668713

IUPAC2,4-dichloro-5-methoxy-3-nitrobenzamide
SMILESCOc1cc(C(N)=O)c(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H6Cl2N2O4/c1-16-4-2-3(8(11)13)5(9)7(6(4)10)12(14)15/h2H,1H3,(H2,11,13)
InChIKeyARWGKNZMQOITTQ-UHFFFAOYSA-N
MW265.05 g/mol
LogP2.01
Rot. Bonds3

About 2,4-dichloro-5-methoxy-3-nitrobenzamide

2,4-dichloro-5-methoxy-3-nitrobenzamide (PubChem CID 175668713) has the molecular formula C8H6Cl2N2O4 and a molecular weight of 265.05 g/mol. Its IUPAC name is 2,4-dichloro-5-methoxy-3-nitrobenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-methoxy-3-nitrobenzamide
PubChem CID175668713
Molecular FormulaC8H6Cl2N2O4
Molecular Weight265.05 g/mol
Exact Mass263.97
IUPAC Name2,4-dichloro-5-methoxy-3-nitrobenzamide
SMILESCOc1cc(C(N)=O)c(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H6Cl2N2O4/c1-16-4-2-3(8(11)13)5(9)7(6(4)10)12(14)15/h2H,1H3,(H2,11,13)
InChIKeyARWGKNZMQOITTQ-UHFFFAOYSA-N
XLogP2.01
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-formyl-3-methoxy-2-nitrobenzamide
CID 171023186
3-(bromomethyl)-5-methoxy-4-methyl-2-nitrobenzamide
CID 90083348
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
3-iodo-5-methoxy-4-nitrobenzamide
CID 171011941
3,5-dimethoxy-4-methyl-2-nitrobenzoyl chloride
CID 22046727
4,5-dimethoxy-2,3-dinitrobenzoic acid
CID 131843904
2-chloro-1-(2-chloro-3-methoxy-5-nitrophenyl)ethanone
CID 171002618
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methoxy-3-nitrobenzamide?
The IUPAC name of 2,4-dichloro-5-methoxy-3-nitrobenzamide (CID 175668713) is 2,4-dichloro-5-methoxy-3-nitrobenzamide.
What is the SMILES notation for 2,4-dichloro-5-methoxy-3-nitrobenzamide?
The canonical SMILES for 2,4-dichloro-5-methoxy-3-nitrobenzamide is COc1cc(C(N)=O)c(Cl)c([N+](=O)[O-])c1Cl.
What is the InChIKey of 2,4-dichloro-5-methoxy-3-nitrobenzamide?
The InChIKey is ARWGKNZMQOITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O4/c1-16-4-2-3(8(11)13)5(9)7(6(4)10)12(14)15/h2H,1H3,(H2,11,13).
What are the key properties of 2,4-dichloro-5-methoxy-3-nitrobenzamide?
2,4-dichloro-5-methoxy-3-nitrobenzamide has a molecular weight of 265.05 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methoxy-3-nitrobenzamide is sourced from PubChem (CID 175668713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).