2,3-dichloro-N-(4-nitrophenyl)benzamide

C13H8Cl2N2O3 — CID 2896612

IUPAC2,3-dichloro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2N2O3/c14-11-3-1-2-10(12(11)15)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18)
InChIKeyDBDMESRRGXPNHR-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.15
Rot. Bonds3

About 2,3-dichloro-N-(4-nitrophenyl)benzamide

2,3-dichloro-N-(4-nitrophenyl)benzamide (PubChem CID 2896612) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-nitrophenyl)benzamide
PubChem CID2896612
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name2,3-dichloro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2N2O3/c14-11-3-1-2-10(12(11)15)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18)
InChIKeyDBDMESRRGXPNHR-UHFFFAOYSA-N
XLogP4.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.15
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

3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
CID 103977639
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,3-dichloro-N-phenylbenzamide
CID 7732866
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(4-nitrophenyl)benzamide (CID 2896612) is 2,3-dichloro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-nitrophenyl)benzamide?
The InChIKey is DBDMESRRGXPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-11-3-1-2-10(12(11)15)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of 2,3-dichloro-N-(4-nitrophenyl)benzamide?
2,3-dichloro-N-(4-nitrophenyl)benzamide has a molecular weight of 311.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 2896612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).