N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide

C19H20ClN3O3 — CID 10523412

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(C(C)C)cc1N=O
InChIInChI=1S/C19H20ClN3O3/c1-12(2)16-9-17(23-25)13(3)7-18(16)26-11-19(24)22-21-10-14-5-4-6-15(20)8-14/h4-10,12H,11H2,1-3H3,(H,22,24)/b21-10+
InChIKeyPLQOFCGDVMKQJD-UFFVCSGVSA-N
MW373.84 g/mol
LogP4.70
Rot. Bonds7

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide (PubChem CID 10523412) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
PubChem CID10523412
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(C(C)C)cc1N=O
InChIInChI=1S/C19H20ClN3O3/c1-12(2)16-9-17(23-25)13(3)7-18(16)26-11-19(24)22-21-10-14-5-4-6-15(20)8-14/h4-10,12H,11H2,1-3H3,(H,22,24)/b21-10+
InChIKeyPLQOFCGDVMKQJD-UFFVCSGVSA-N
XLogP4.70
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10692808
N-[(3-chlorophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 690156
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 957902
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716692
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19190303
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide (CID 10523412) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(C(C)C)cc1N=O.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The InChIKey is PLQOFCGDVMKQJD-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12(2)16-9-17(23-25)13(3)7-18(16)26-11-19(24)22-21-10-14-5-4-6-15(20)8-14/h4-10,12H,11H2,1-3H3,(H,22,24)/b21-10+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide has a molecular weight of 373.84 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 10523412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).