2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide

C18H19ClN2O4 — CID 2853275

IUPAC2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-12(13-7-8-16(23-2)17(9-13)24-3)20-21-18(22)11-25-15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyXNNOKRHWHPSNPB-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.28
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide

2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (PubChem CID 2853275) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
PubChem CID2853275
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-12(13-7-8-16(23-2)17(9-13)24-3)20-21-18(22)11-25-15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyXNNOKRHWHPSNPB-UHFFFAOYSA-N
XLogP3.28
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.28
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

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-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524
2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 6027225
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (CID 2853275) is 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is COc1ccc(C(C)=NNC(=O)COc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is XNNOKRHWHPSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12(13-7-8-16(23-2)17(9-13)24-3)20-21-18(22)11-25-15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 362.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 2853275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).