4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide

C14H7ClF3N3O5 — CID 3523011

IUPAC4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H7ClF3N3O5/c15-12-10(20(23)24)5-7(6-11(12)21(25)26)13(22)19-9-4-2-1-3-8(9)14(16,17)18/h1-6H,(H,19,22)
InChIKeyOYDSCNLXZHCYDI-UHFFFAOYSA-N
MW389.67 g/mol
LogP4.43
Rot. Bonds4

About 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide

4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 3523011) has the molecular formula C14H7ClF3N3O5 and a molecular weight of 389.67 g/mol. Its IUPAC name is 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID3523011
Molecular FormulaC14H7ClF3N3O5
Molecular Weight389.67 g/mol
Exact Mass389.00
IUPAC Name4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H7ClF3N3O5/c15-12-10(20(23)24)5-7(6-11(12)21(25)26)13(22)19-9-4-2-1-3-8(9)14(16,17)18/h1-6H,(H,19,22)
InChIKeyOYDSCNLXZHCYDI-UHFFFAOYSA-N
XLogP4.43
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.67
LogP ≤ 54.43
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

4-chloro-N-(2-iodophenyl)-3,5-dinitrobenzamide
CID 4629817
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
3-nitro-4-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3761996
2-[2-nitro-4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfanylacetate
CID 3592651
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
CID 43215256
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1336327
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135413583
4-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
CID 22137841
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 4512622
4-chloro-N-hydroxy-3,5-dinitrobenzamide
CID 71370589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide (CID 3523011) is 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OYDSCNLXZHCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O5/c15-12-10(20(23)24)5-7(6-11(12)21(25)26)13(22)19-9-4-2-1-3-8(9)14(16,17)18/h1-6H,(H,19,22).
What are the key properties of 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide?
4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 389.67 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).