2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide

C27H19Cl2FN2O3 — CID 126392833

IUPAC2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C27H19Cl2FN2O3/c28-19-4-3-5-22(15-19)35-21-11-9-20(10-12-21)31-16-18-8-13-26(23(29)14-18)34-17-27(33)32-25-7-2-1-6-24(25)30/h1-16H,17H2,(H,32,33)/b31-16+
InChIKeyVHZDSPAXLJGZPD-WCMJOSRZSA-N
MW509.36 g/mol
LogP7.69
Rot. Bonds8

About 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 126392833) has the molecular formula C27H19Cl2FN2O3 and a molecular weight of 509.36 g/mol. Its IUPAC name is 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID126392833
Molecular FormulaC27H19Cl2FN2O3
Molecular Weight509.36 g/mol
Exact Mass508.08
IUPAC Name2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C27H19Cl2FN2O3/c28-19-4-3-5-22(15-19)35-21-11-9-20(10-12-21)31-16-18-8-13-26(23(29)14-18)34-17-27(33)32-25-7-2-1-6-24(25)30/h1-16H,17H2,(H,32,33)/b31-16+
InChIKeyVHZDSPAXLJGZPD-WCMJOSRZSA-N
XLogP7.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.36
LogP ≤ 57.69
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)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 124551297
2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126385014
2-[2-chloro-4-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126383011
2-[2-chloro-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126386697
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126384549
2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
CID 126387884
N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124548764
2-[2-chloro-4-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126388835
N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6067725
N-[[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-cyanoacetamide
CID 3996851
4-bromo-N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126386661
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide (CID 126392833) is 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1Cl)Nc1ccccc1F.
What is the InChIKey of 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is VHZDSPAXLJGZPD-WCMJOSRZSA-N. The full InChI is InChI=1S/C27H19Cl2FN2O3/c28-19-4-3-5-22(15-19)35-21-11-9-20(10-12-21)31-16-18-8-13-26(23(29)14-18)34-17-27(33)32-25-7-2-1-6-24(25)30/h1-16H,17H2,(H,32,33)/b31-16+.
What are the key properties of 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 509.36 g/mol, XLogP of 7.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126392833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).