2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide

C16H14ClFN2O3 — CID 8979030

IUPAC2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1F
InChIInChI=1S/C16H14ClFN2O3/c1-22-15-7-6-11(8-13(15)18)9-19-20-16(21)10-23-14-5-3-2-4-12(14)17/h2-9H,10H2,1H3,(H,20,21)/b19-9-
InChIKeySTOCHJLSTPMQSI-OCKHKDLRSA-N
MW336.75 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 8979030) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID8979030
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1F
InChIInChI=1S/C16H14ClFN2O3/c1-22-15-7-6-11(8-13(15)18)9-19-20-16(21)10-23-14-5-3-2-4-12(14)17/h2-9H,10H2,1H3,(H,20,21)/b19-9-
InChIKeySTOCHJLSTPMQSI-OCKHKDLRSA-N
XLogP3.02
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 3427707
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027680
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 3778138
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126019698
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126018731

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide (CID 8979030) is 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1F.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is STOCHJLSTPMQSI-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-22-15-7-6-11(8-13(15)18)9-19-20-16(21)10-23-14-5-3-2-4-12(14)17/h2-9H,10H2,1H3,(H,20,21)/b19-9-.
What are the key properties of 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 336.75 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 8979030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).