N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide

C9H7F3N2O4 — CID 2775771

IUPACN-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15)
InChIKeyUCLBQTSVYJDQRU-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.45
Rot. Bonds3

About N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide

N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2775771) has the molecular formula C9H7F3N2O4 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2775771
Molecular FormulaC9H7F3N2O4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC NameN-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15)
InChIKeyUCLBQTSVYJDQRU-UHFFFAOYSA-N
XLogP2.45
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide (CID 2775771) is N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is UCLBQTSVYJDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15).
What are the key properties of N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide?
N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 264.16 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2775771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).