2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide

C22H18N4O6 — CID 4298225

IUPAC2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18N4O6/c27-22(12-18-8-9-19(25(28)29)13-21(18)26(30)31)24-23-14-16-6-10-20(11-7-16)32-15-17-4-2-1-3-5-17/h1-11,13-14H,12,15H2,(H,24,27)
InChIKeyVINIASWQZKIVDK-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.77
Rot. Bonds9

About 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 4298225) has the molecular formula C22H18N4O6 and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID4298225
Molecular FormulaC22H18N4O6
Molecular Weight434.41 g/mol
Exact Mass434.12
IUPAC Name2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18N4O6/c27-22(12-18-8-9-19(25(28)29)13-21(18)26(30)31)24-23-14-16-6-10-20(11-7-16)32-15-17-4-2-1-3-5-17/h1-11,13-14H,12,15H2,(H,24,27)
InChIKeyVINIASWQZKIVDK-UHFFFAOYSA-N
XLogP3.77
TPSA136.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 3130440
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 41031515
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4642031
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(E)-[3,5-dichloro-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378521

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 4298225) is 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is VINIASWQZKIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O6/c27-22(12-18-8-9-19(25(28)29)13-21(18)26(30)31)24-23-14-16-6-10-20(11-7-16)32-15-17-4-2-1-3-5-17/h1-11,13-14H,12,15H2,(H,24,27).
What are the key properties of 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 434.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4298225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).