2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide

C20H11ClF4N2O4 — CID 132822569

IUPAC2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H11ClF4N2O4/c21-16-7-4-13(27(29)30)10-15(16)19(28)26-17-9-11(20(23,24)25)1-8-18(17)31-14-5-2-12(22)3-6-14/h1-10H,(H,26,28)
InChIKeyXEEAJEOJYXHKCI-UHFFFAOYSA-N
MW454.76 g/mol
LogP6.45
Rot. Bonds5

About 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide

2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide (PubChem CID 132822569) has the molecular formula C20H11ClF4N2O4 and a molecular weight of 454.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
PubChem CID132822569
Molecular FormulaC20H11ClF4N2O4
Molecular Weight454.76 g/mol
Exact Mass454.03
IUPAC Name2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H11ClF4N2O4/c21-16-7-4-13(27(29)30)10-15(16)19(28)26-17-9-11(20(23,24)25)1-8-18(17)31-14-5-2-12(22)3-6-14/h1-10H,(H,26,28)
InChIKeyXEEAJEOJYXHKCI-UHFFFAOYSA-N
XLogP6.45
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.76
LogP ≤ 56.45
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

2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
4-chloro-N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1340542
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitrobenzamide
CID 3111250
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene;N-methylthiohydroxylamine
CID 86740268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide (CID 132822569) is 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
The InChIKey is XEEAJEOJYXHKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF4N2O4/c21-16-7-4-13(27(29)30)10-15(16)19(28)26-17-9-11(20(23,24)25)1-8-18(17)31-14-5-2-12(22)3-6-14/h1-10H,(H,26,28).
What are the key properties of 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide?
2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide has a molecular weight of 454.76 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 132822569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).