N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide

C18H18ClN3O3 — CID 9316748

IUPACN-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12-9-16(7-8-17(12)19)25-11-18(24)22-20-10-14-3-5-15(6-4-14)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyVYQUYKZHQDANKN-JMIUGGIZSA-N
MW359.81 g/mol
LogP3.14
Rot. Bonds6

About N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide

N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 9316748) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID9316748
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12-9-16(7-8-17(12)19)25-11-18(24)22-20-10-14-3-5-15(6-4-14)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyVYQUYKZHQDANKN-JMIUGGIZSA-N
XLogP3.14
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426403
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
2-(4-chloro-3-methylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135412104
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 19189648
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide
CID 9256927
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 6895231
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide (CID 9316748) is N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide is CC(=O)Nc1ccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is VYQUYKZHQDANKN-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12-9-16(7-8-17(12)19)25-11-18(24)22-20-10-14-3-5-15(6-4-14)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)/b20-10-.
What are the key properties of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide?
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 359.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 9316748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).