N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide

C22H18FN3O4 — CID 3277227

IUPACN-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O4/c23-19-10-8-16(9-11-19)15-30-20-6-3-4-17(12-20)14-24-25-22(27)13-18-5-1-2-7-21(18)26(28)29/h1-12,14H,13,15H2,(H,25,27)
InChIKeyOJEOYCCIYCPFMN-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.01
Rot. Bonds8

About N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide

N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide (PubChem CID 3277227) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
PubChem CID3277227
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O4/c23-19-10-8-16(9-11-19)15-30-20-6-3-4-17(12-20)14-24-25-22(27)13-18-5-1-2-7-21(18)26(28)29/h1-12,14H,13,15H2,(H,25,27)
InChIKeyOJEOYCCIYCPFMN-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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Related Compounds

3-nitro-N'-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}benzohydrazide
CID 6872816
4-ethoxy-N'-{2-nitrobenzylidene}benzohydrazide
CID 5332371
N'-[4-(benzyloxy)-3-methoxybenzylidene]-3-nitrobenzohydrazide
CID 5339707
N-[(E)-(4-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 9640339
N-[(E)-(3-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6892892
N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 9563405
N-[(2-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 9640340
2-(3,4-dimethoxyphenyl)-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
CID 9676046
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 6870876
N'-(3-(Benzyloxy)benzylidene)-4-nitrobenzohydrazide
CID 5338302
2-(Benzyloxy)-N'-(4-nitrobenzylidene)benzohydrazide
CID 9559703
(E)-2-(naphthalen-1-yloxy)-N'-(2-nitrobenzylidene)acetohydrazide
CID 9615930

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide (CID 3277227) is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The InChIKey is OJEOYCCIYCPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c23-19-10-8-16(9-11-19)15-30-20-6-3-4-17(12-20)14-24-25-22(27)13-18-5-1-2-7-21(18)26(28)29/h1-12,14H,13,15H2,(H,25,27).
What are the key properties of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-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-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3277227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).