2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

C14H9F3N2O4 — CID 8565508

IUPAC2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILESNC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)8-5-6-12(10(7-8)19(21)22)23-11-4-2-1-3-9(11)13(18)20/h1-7H,(H2,18,20)
InChIKeyNNFAFCDTSBCMIN-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 8565508) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound Name2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
PubChem CID8565508
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC Name2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILESNC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)8-5-6-12(10(7-8)19(21)22)23-11-4-2-1-3-9(11)13(18)20/h1-7H,(H2,18,20)
InChIKeyNNFAFCDTSBCMIN-UHFFFAOYSA-N
XLogP3.50
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.50
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-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 38112749
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
1-(5-fluoro-2-nitrophenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 9311790
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
CID 82000895
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2779612
5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzamide
CID 57174835
ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate
CID 30329
[(E)-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]urea
CID 56726663
(Z)-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-phenylprop-2-enenitrile
CID 126097917
3,3,6,6-tetramethyl-9-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 126088996
[2-nitro-4-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174495859

Frequently Asked Questions

What is the IUPAC name of 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide (CID 8565508) is 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide is NC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is NNFAFCDTSBCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c15-14(16,17)8-5-6-12(10(7-8)19(21)22)23-11-4-2-1-3-9(11)13(18)20/h1-7H,(H2,18,20).
What are the key properties of 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 8565508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).