N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide

C23H16ClFN2O2 — CID 4263096

IUPACN-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NN=Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C23H16ClFN2O2/c24-23-17-9-3-1-7-15(17)19(16-8-2-4-10-18(16)23)13-26-27-22(28)14-29-21-12-6-5-11-20(21)25/h1-13H,14H2,(H,27,28)
InChIKeyRQBXDXYJZZNGNM-UHFFFAOYSA-N
MW406.84 g/mol
LogP5.31
Rot. Bonds5

About N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 4263096) has the molecular formula C23H16ClFN2O2 and a molecular weight of 406.84 g/mol. Its IUPAC name is N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID4263096
Molecular FormulaC23H16ClFN2O2
Molecular Weight406.84 g/mol
Exact Mass406.09
IUPAC NameN-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NN=Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C23H16ClFN2O2/c24-23-17-9-3-1-7-15(17)19(16-8-2-4-10-18(16)23)13-26-27-22(28)14-29-21-12-6-5-11-20(21)25/h1-13H,14H2,(H,27,28)
InChIKeyRQBXDXYJZZNGNM-UHFFFAOYSA-N
XLogP5.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.84
LogP ≤ 55.31
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 2594807
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372

Frequently Asked Questions

What is the IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide (CID 4263096) is N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NN=Cc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is RQBXDXYJZZNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O2/c24-23-17-9-3-1-7-15(17)19(16-8-2-4-10-18(16)23)13-26-27-22(28)14-29-21-12-6-5-11-20(21)25/h1-13H,14H2,(H,27,28).
What are the key properties of N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 406.84 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 4263096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).