2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide

C16H14Cl2N2O3 — CID 1018512

IUPAC2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O
InChIInChI=1S/C16H14Cl2N2O3/c1-22-15-6-10(2-5-14(15)23-9-16(19)21)8-20-11-3-4-12(17)13(18)7-11/h2-8H,9H2,1H3,(H2,19,21)/b20-8+
InChIKeyFWZMPPCFGSYJFG-DNTJNYDQSA-N
MW353.21 g/mol
LogP3.62
Rot. Bonds6

About 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide

2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide (PubChem CID 1018512) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide
PubChem CID1018512
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O
InChIInChI=1S/C16H14Cl2N2O3/c1-22-15-6-10(2-5-14(15)23-9-16(19)21)8-20-11-3-4-12(17)13(18)7-11/h2-8H,9H2,1H3,(H2,19,21)/b20-8+
InChIKeyFWZMPPCFGSYJFG-DNTJNYDQSA-N
XLogP3.62
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 19658472
N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 3388817
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 6858847
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)propanamide
CID 5097247
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide (CID 1018512) is 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide is COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide?
The InChIKey is FWZMPPCFGSYJFG-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-15-6-10(2-5-14(15)23-9-16(19)21)8-20-11-3-4-12(17)13(18)7-11/h2-8H,9H2,1H3,(H2,19,21)/b20-8+.
What are the key properties of 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide?
2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide has a molecular weight of 353.21 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 1018512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).