N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide

C17H16FN3O5 — CID 8563385

IUPACN-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16FN3O5/c1-11-2-7-15(14(8-11)21(24)25)26-10-17(23)19-9-16(22)20-13-5-3-12(18)4-6-13/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyXYWOJWBGBUPMCN-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.18
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide

N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 8563385) has the molecular formula C17H16FN3O5 and a molecular weight of 361.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
PubChem CID8563385
Molecular FormulaC17H16FN3O5
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC NameN-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16FN3O5/c1-11-2-7-15(14(8-11)21(24)25)26-10-17(23)19-9-16(22)20-13-5-3-12(18)4-6-13/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyXYWOJWBGBUPMCN-UHFFFAOYSA-N
XLogP2.18
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]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-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide (CID 8563385) is N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide is Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is XYWOJWBGBUPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O5/c1-11-2-7-15(14(8-11)21(24)25)26-10-17(23)19-9-16(22)20-13-5-3-12(18)4-6-13/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 361.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 8563385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).