2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide

C14H7Cl2F3N2O3 — CID 3538008

IUPAC2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H7Cl2F3N2O3/c15-10-4-2-8(21(23)24)6-9(10)13(22)20-12-5-7(14(17,18)19)1-3-11(12)16/h1-6H,(H,20,22)
InChIKeyOLGBNTUFWNAMRI-UHFFFAOYSA-N
MW379.12 g/mol
LogP5.17
Rot. Bonds3

About 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide (PubChem CID 3538008) has the molecular formula C14H7Cl2F3N2O3 and a molecular weight of 379.12 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
PubChem CID3538008
Molecular FormulaC14H7Cl2F3N2O3
Molecular Weight379.12 g/mol
Exact Mass377.98
IUPAC Name2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H7Cl2F3N2O3/c15-10-4-2-8(21(23)24)6-9(10)13(22)20-12-5-7(14(17,18)19)1-3-11(12)16/h1-6H,(H,20,22)
InChIKeyOLGBNTUFWNAMRI-UHFFFAOYSA-N
XLogP5.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.12
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide (CID 3538008) is 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
The InChIKey is OLGBNTUFWNAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O3/c15-10-4-2-8(21(23)24)6-9(10)13(22)20-12-5-7(14(17,18)19)1-3-11(12)16/h1-6H,(H,20,22).
What are the key properties of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide has a molecular weight of 379.12 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 3538008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).