2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide

C21H14Cl3FN2O2 — CID 126385014

IUPAC2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C21H14Cl3FN2O2/c22-15-7-6-14(10-16(15)23)26-11-13-5-8-20(17(24)9-13)29-12-21(28)27-19-4-2-1-3-18(19)25/h1-11H,12H2,(H,27,28)/b26-11+
InChIKeyNBBYMDZDRLGYLZ-KBKYJPHKSA-N
MW451.71 g/mol
LogP6.55
Rot. Bonds6

About 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 126385014) has the molecular formula C21H14Cl3FN2O2 and a molecular weight of 451.71 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID126385014
Molecular FormulaC21H14Cl3FN2O2
Molecular Weight451.71 g/mol
Exact Mass450.01
IUPAC Name2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C21H14Cl3FN2O2/c22-15-7-6-14(10-16(15)23)26-11-13-5-8-20(17(24)9-13)29-12-21(28)27-19-4-2-1-3-18(19)25/h1-11H,12H2,(H,27,28)/b26-11+
InChIKeyNBBYMDZDRLGYLZ-KBKYJPHKSA-N
XLogP6.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.71
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126386697
2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
CID 126387884
2-[2-chloro-4-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126383011
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126384549
2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126392833
N-[[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-cyanoacetamide
CID 3996851
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-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 124551297
4-bromo-N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126386661
N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6067725
2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 4025119

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide (CID 126385014) is 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1F.
What is the InChIKey of 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is NBBYMDZDRLGYLZ-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H14Cl3FN2O2/c22-15-7-6-14(10-16(15)23)26-11-13-5-8-20(17(24)9-13)29-12-21(28)27-19-4-2-1-3-18(19)25/h1-11H,12H2,(H,27,28)/b26-11+.
What are the key properties of 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 451.71 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126385014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).