2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide

C15H13FN2O3 — CID 807624

IUPAC2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c1-10-2-7-13(18(20)21)9-14(10)17-15(19)8-11-3-5-12(16)6-4-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyLGKCXYYBAOKNAI-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide

2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 807624) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID807624
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c1-10-2-7-13(18(20)21)9-14(10)17-15(19)8-11-3-5-12(16)6-4-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyLGKCXYYBAOKNAI-UHFFFAOYSA-N
XLogP3.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.22
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'}

Analyze 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide (CID 807624) is 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is LGKCXYYBAOKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10-2-7-13(18(20)21)9-14(10)17-15(19)8-11-3-5-12(16)6-4-11/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 288.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 807624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).