2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide

C18H19ClN2O2 — CID 7334037

IUPAC2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(/C(C)=N/NC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-14-7-9-15(10-8-14)13(2)20-21-18(22)12-23-17-6-4-5-16(19)11-17/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+
InChIKeySBTQNJWFYWFTGK-DEDYPNTBSA-N
MW330.82 g/mol
LogP3.82
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide (PubChem CID 7334037) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
PubChem CID7334037
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(/C(C)=N/NC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-14-7-9-15(10-8-14)13(2)20-21-18(22)12-23-17-6-4-5-16(19)11-17/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+
InChIKeySBTQNJWFYWFTGK-DEDYPNTBSA-N
XLogP3.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.82
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

2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 2853275
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
2-(4-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide (CID 7334037) is 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide is CCc1ccc(/C(C)=N/NC(=O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The InChIKey is SBTQNJWFYWFTGK-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-14-7-9-15(10-8-14)13(2)20-21-18(22)12-23-17-6-4-5-16(19)11-17/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 7334037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).