N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide

C22H18FN3O4 — CID 3127362

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN3O4/c23-19-7-1-18(2-8-19)15-30-21-11-5-17(6-12-21)14-24-25-22(27)13-16-3-9-20(10-4-16)26(28)29/h1-12,14H,13,15H2,(H,25,27)
InChIKeyLWPJFOGPYXRIMA-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.01
Rot. Bonds8

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 3127362) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID3127362
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN3O4/c23-19-7-1-18(2-8-19)15-30-21-11-5-17(6-12-21)14-24-25-22(27)13-16-3-9-20(10-4-16)26(28)29/h1-12,14H,13,15H2,(H,25,27)
InChIKeyLWPJFOGPYXRIMA-UHFFFAOYSA-N
XLogP4.01
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.01
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-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide (CID 3127362) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is LWPJFOGPYXRIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c23-19-7-1-18(2-8-19)15-30-21-11-5-17(6-12-21)14-24-25-22(27)13-16-3-9-20(10-4-16)26(28)29/h1-12,14H,13,15H2,(H,25,27).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 407.40 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3127362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).