N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

C17H17ClN2O2 — CID 5416702

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-13-6-8-16(9-7-13)22-12-17(21)20-19-11-14-4-3-5-15(18)10-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11-
InChIKeyCILFMFHTQQDYIH-ODLFYWEKSA-N
MW316.79 g/mol
LogP3.43
Rot. Bonds6

About N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 5416702) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID5416702
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-13-6-8-16(9-7-13)22-12-17(21)20-19-11-14-4-3-5-15(18)10-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11-
InChIKeyCILFMFHTQQDYIH-ODLFYWEKSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
2-(4-ethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924443
N-[(3-chlorophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 5194764
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6166956
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
[4-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 4600764
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 957902
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 5416702) is N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N/N=C\c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is CILFMFHTQQDYIH-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-13-6-8-16(9-7-13)22-12-17(21)20-19-11-14-4-3-5-15(18)10-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 5416702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).