2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide

C17H14F4N2O4 — CID 87690814

IUPAC2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide
SMILESCCCc1c(F)c(C(N)=O)cc([N+](=O)[O-])c1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F4N2O4/c1-2-5-9-14(18)10(16(22)24)8-12(23(25)26)15(9)27-13-7-4-3-6-11(13)17(19,20)21/h3-4,6-8H,2,5H2,1H3,(H2,22,24)
InChIKeyHOIFNCAUPVCZNC-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.60
Rot. Bonds6

About 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide

2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide (PubChem CID 87690814) has the molecular formula C17H14F4N2O4 and a molecular weight of 386.30 g/mol. Its IUPAC name is 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide
PubChem CID87690814
Molecular FormulaC17H14F4N2O4
Molecular Weight386.30 g/mol
Exact Mass386.09
IUPAC Name2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide
SMILESCCCc1c(F)c(C(N)=O)cc([N+](=O)[O-])c1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F4N2O4/c1-2-5-9-14(18)10(16(22)24)8-12(23(25)26)15(9)27-13-7-4-3-6-11(13)17(19,20)21/h3-4,6-8H,2,5H2,1H3,(H2,22,24)
InChIKeyHOIFNCAUPVCZNC-UHFFFAOYSA-N
XLogP4.60
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide (CID 87690814) is 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide is CCCc1c(F)c(C(N)=O)cc([N+](=O)[O-])c1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is HOIFNCAUPVCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O4/c1-2-5-9-14(18)10(16(22)24)8-12(23(25)26)15(9)27-13-7-4-3-6-11(13)17(19,20)21/h3-4,6-8H,2,5H2,1H3,(H2,22,24).
What are the key properties of 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide?
2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 386.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-3-propyl-4-[2-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 87690814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).