N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide

C26H20FN3O5 — CID 4276527

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C26H20FN3O5/c27-20-8-5-18(6-9-20)16-35-25-14-7-19-3-1-2-4-23(19)24(25)15-28-29-26(31)17-34-22-12-10-21(11-13-22)30(32)33/h1-15H,16-17H2,(H,29,31)
InChIKeyXHNLWPPRXVJGRE-UHFFFAOYSA-N
MW473.46 g/mol
LogP5.00
Rot. Bonds9

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 4276527) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID4276527
Molecular FormulaC26H20FN3O5
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C26H20FN3O5/c27-20-8-5-18(6-9-20)16-35-25-14-7-19-3-1-2-4-23(19)24(25)15-28-29-26(31)17-34-22-12-10-21(11-13-22)30(32)33/h1-15H,16-17H2,(H,29,31)
InChIKeyXHNLWPPRXVJGRE-UHFFFAOYSA-N
XLogP5.00
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
CID 5168763
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030148
2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
CID 5182434
2-(4-fluorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137054697
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 4276527) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is XHNLWPPRXVJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c27-20-8-5-18(6-9-20)16-35-25-14-7-19-3-1-2-4-23(19)24(25)15-28-29-26(31)17-34-22-12-10-21(11-13-22)30(32)33/h1-15H,16-17H2,(H,29,31).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 473.46 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 4276527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).