3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide

C13H6Cl3N3O5 — CID 3457149

IUPAC3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C13H6Cl3N3O5/c14-7-3-10(15)12(11(16)4-7)17-13(20)6-1-8(18(21)22)5-9(2-6)19(23)24/h1-5H,(H,17,20)
InChIKeyHMFIUIWYEURVGN-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.72
Rot. Bonds4

About 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide

3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 3457149) has the molecular formula C13H6Cl3N3O5 and a molecular weight of 390.57 g/mol. Its IUPAC name is 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID3457149
Molecular FormulaC13H6Cl3N3O5
Molecular Weight390.57 g/mol
Exact Mass388.94
IUPAC Name3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C13H6Cl3N3O5/c14-7-3-10(15)12(11(16)4-7)17-13(20)6-1-8(18(21)22)5-9(2-6)19(23)24/h1-5H,(H,17,20)
InChIKeyHMFIUIWYEURVGN-UHFFFAOYSA-N
XLogP4.72
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
CID 3290462
5-nitro-1-N,3-N-bis(2,4,5-trichlorophenyl)benzene-1,3-dicarboxamide
CID 3379159
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 78995321
2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
CID 43343719
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
3-chloro-N-(4-formylphenyl)-5-nitrobenzamide
CID 106912140
N-(3-bromo-5-methylphenyl)-3-chloro-5-nitrobenzamide
CID 107583778
N-[(2,4-dichlorophenyl)carbamothioyl]-3,5-dinitrobenzamide
CID 3382172
3-chloro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 79039040
3-chloro-N-[2-(chloromethyl)phenyl]-5-nitrobenzamide
CID 114298509
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 104817535

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide (CID 3457149) is 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is HMFIUIWYEURVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3N3O5/c14-7-3-10(15)12(11(16)4-7)17-13(20)6-1-8(18(21)22)5-9(2-6)19(23)24/h1-5H,(H,17,20).
What are the key properties of 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide?
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 390.57 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 3457149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).