2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide

C22H19N3O4Se — CID 10671960

IUPAC2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide
SMILESCOc1ccc(/C=N/CC(=O)Nc2ccc([Se]c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C22H19N3O4Se/c1-29-19-8-2-16(3-9-19)14-23-15-22(26)24-17-4-10-20(11-5-17)30-21-12-6-18(7-13-21)25(27)28/h2-14H,15H2,1H3,(H,24,26)/b23-14+
InChIKeyACLIOBCEMQAGSF-OEAKJJBVSA-N
MW468.37 g/mol
LogP2.32
Rot. Bonds8

About 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide

2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide (PubChem CID 10671960) has the molecular formula C22H19N3O4Se and a molecular weight of 468.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide
PubChem CID10671960
Molecular FormulaC22H19N3O4Se
Molecular Weight468.37 g/mol
Exact Mass469.05
IUPAC Name2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide
SMILESCOc1ccc(/C=N/CC(=O)Nc2ccc([Se]c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C22H19N3O4Se/c1-29-19-8-2-16(3-9-19)14-23-15-22(26)24-17-4-10-20(11-5-17)30-21-12-6-18(7-13-21)25(27)28/h2-14H,15H2,1H3,(H,24,26)/b23-14+
InChIKeyACLIOBCEMQAGSF-OEAKJJBVSA-N
XLogP2.32
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-methoxyphenyl)methylideneamino]-N-phenylacetamide
CID 70606724
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
CID 3650874
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2508502
(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 6112838
2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 43879651
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
(4-nitrophenyl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 1310146
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 43880719

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide (CID 10671960) is 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide is COc1ccc(/C=N/CC(=O)Nc2ccc([Se]c3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide?
The InChIKey is ACLIOBCEMQAGSF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O4Se/c1-29-19-8-2-16(3-9-19)14-23-15-22(26)24-17-4-10-20(11-5-17)30-21-12-6-18(7-13-21)25(27)28/h2-14H,15H2,1H3,(H,24,26)/b23-14+.
What are the key properties of 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide?
2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide has a molecular weight of 468.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylideneamino]-N-[4-(4-nitrophenyl)selanylphenyl]acetamide is sourced from PubChem (CID 10671960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).