N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide

C14H12FN3O3 — CID 69270495

IUPACN-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide
SMILESNc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O3/c15-10-3-1-9(2-4-10)7-14(19)17-12-6-5-11(16)8-13(12)18(20)21/h1-6,8H,7,16H2,(H,17,19)
InChIKeySESOOIKDJVIIDO-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.50
Rot. Bonds4

About N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide

N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide (PubChem CID 69270495) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide
PubChem CID69270495
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide
SMILESNc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O3/c15-10-3-1-9(2-4-10)7-14(19)17-12-6-5-11(16)8-13(12)18(20)21/h1-6,8H,7,16H2,(H,17,19)
InChIKeySESOOIKDJVIIDO-UHFFFAOYSA-N
XLogP2.50
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)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 N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide (CID 69270495) is N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide is Nc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is SESOOIKDJVIIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-10-3-1-9(2-4-10)7-14(19)17-12-6-5-11(16)8-13(12)18(20)21/h1-6,8H,7,16H2,(H,17,19).
What are the key properties of N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide?
N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 289.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-nitrophenyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 69270495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).