2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

C14H8F4N2O3 — CID 170761389

IUPAC2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H8F4N2O3/c15-12-6-5-10(20(22)23)7-11(12)13(21)19-9-3-1-8(2-4-9)14(16,17)18/h1-7H,(H,19,21)
InChIKeyGZVZPJYKULBNSV-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.01
Rot. Bonds3

About 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 170761389) has the molecular formula C14H8F4N2O3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID170761389
Molecular FormulaC14H8F4N2O3
Molecular Weight328.22 g/mol
Exact Mass328.05
IUPAC Name2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H8F4N2O3/c15-12-6-5-10(20(22)23)7-11(12)13(21)19-9-3-1-8(2-4-9)14(16,17)18/h1-7H,(H,19,21)
InChIKeyGZVZPJYKULBNSV-UHFFFAOYSA-N
XLogP4.01
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.01
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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Related Compounds

N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
N-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-nitrobenzamide
CID 58737126

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide (CID 170761389) is 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GZVZPJYKULBNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O3/c15-12-6-5-10(20(22)23)7-11(12)13(21)19-9-3-1-8(2-4-9)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 328.22 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 170761389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).