2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide

C15H14FN3O3 — CID 4187904

IUPAC2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide
SMILESO=C(CNCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O3/c16-12-7-5-11(6-8-12)9-17-10-15(20)18-13-3-1-2-4-14(13)19(21)22/h1-8,17H,9-10H2,(H,18,20)
InChIKeyPZGXMBASLWHTCY-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.46
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide

2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 4187904) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide
PubChem CID4187904
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide
SMILESO=C(CNCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O3/c16-12-7-5-11(6-8-12)9-17-10-15(20)18-13-3-1-2-4-14(13)19(21)22/h1-8,17H,9-10H2,(H,18,20)
InChIKeyPZGXMBASLWHTCY-UHFFFAOYSA-N
XLogP2.46
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
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 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide (CID 4187904) is 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide is O=C(CNCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is PZGXMBASLWHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-7-5-11(6-8-12)9-17-10-15(20)18-13-3-1-2-4-14(13)19(21)22/h1-8,17H,9-10H2,(H,18,20).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide?
2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 303.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4187904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).