N-(2,3,4-trifluoro-5-nitrophenyl)acetamide

C8H5F3N2O3 — CID 156686573

IUPACN-(2,3,4-trifluoro-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C8H5F3N2O3/c1-3(14)12-4-2-5(13(15)16)7(10)8(11)6(4)9/h2H,1H3,(H,12,14)
InChIKeyZVXLABWWFAEOST-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.97
Rot. Bonds2

About N-(2,3,4-trifluoro-5-nitrophenyl)acetamide

N-(2,3,4-trifluoro-5-nitrophenyl)acetamide (PubChem CID 156686573) has the molecular formula C8H5F3N2O3 and a molecular weight of 234.13 g/mol. Its IUPAC name is N-(2,3,4-trifluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3,4-trifluoro-5-nitrophenyl)acetamide
PubChem CID156686573
Molecular FormulaC8H5F3N2O3
Molecular Weight234.13 g/mol
Exact Mass234.03
IUPAC NameN-(2,3,4-trifluoro-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])c(F)c(F)c1F
InChIInChI=1S/C8H5F3N2O3/c1-3(14)12-4-2-5(13(15)16)7(10)8(11)6(4)9/h2H,1H3,(H,12,14)
InChIKeyZVXLABWWFAEOST-UHFFFAOYSA-N
XLogP1.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
N-[2-nitro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]acetamide
CID 3094461
N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
CID 110317083
2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 110317109
2,3,4-trifluoro-5-nitrophenol
CID 131582853
(2-acetamido-4-fluoro-5-nitrophenyl)methylideneazanium
CID 142836169
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
4-acetamido-6-nitrobenzene-1,3-disulfonyl chloride
CID 163601250
4-bromo-1-fluoro-2-nitrobenzene;N-(5-bromo-2-fluorophenyl)acetamide
CID 159218449
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
CID 5485377
N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
CID 22411317
1-(3,4-difluoro-5-nitrophenyl)propan-2-one
CID 117306145

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluoro-5-nitrophenyl)acetamide?
The IUPAC name of N-(2,3,4-trifluoro-5-nitrophenyl)acetamide (CID 156686573) is N-(2,3,4-trifluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,3,4-trifluoro-5-nitrophenyl)acetamide?
The canonical SMILES for N-(2,3,4-trifluoro-5-nitrophenyl)acetamide is CC(=O)Nc1cc([N+](=O)[O-])c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluoro-5-nitrophenyl)acetamide?
The InChIKey is ZVXLABWWFAEOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3/c1-3(14)12-4-2-5(13(15)16)7(10)8(11)6(4)9/h2H,1H3,(H,12,14).
What are the key properties of N-(2,3,4-trifluoro-5-nitrophenyl)acetamide?
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide has a molecular weight of 234.13 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 156686573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).