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

C16H14FN3O4 — CID 689555

IUPACN-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14FN3O4/c1-11-6-7-15(14(8-11)20(22)23)24-10-16(21)19-18-9-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,19,21)
InChIKeyUGUDILHHOFLFGC-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.57
Rot. Bonds6

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

N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 689555) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID689555
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14FN3O4/c1-11-6-7-15(14(8-11)20(22)23)24-10-16(21)19-18-9-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,19,21)
InChIKeyUGUDILHHOFLFGC-UHFFFAOYSA-N
XLogP2.57
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 689555) is N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)NN=Cc2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is UGUDILHHOFLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-11-6-7-15(14(8-11)20(22)23)24-10-16(21)19-18-9-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 331.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 689555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).