2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide

C22H17BrClFN2O2 — CID 126387884

IUPAC2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1Br
InChIInChI=1S/C22H17BrClFN2O2/c1-14-10-16(7-8-17(14)23)26-12-15-6-9-21(18(24)11-15)29-13-22(28)27-20-5-3-2-4-19(20)25/h2-12H,13H2,1H3,(H,27,28)/b26-12+
InChIKeyUFCWAHGSBYGQJW-RPPGKUMJSA-N
MW475.75 g/mol
LogP6.32
Rot. Bonds6

About 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide

2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 126387884) has the molecular formula C22H17BrClFN2O2 and a molecular weight of 475.75 g/mol. Its IUPAC name is 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID126387884
Molecular FormulaC22H17BrClFN2O2
Molecular Weight475.75 g/mol
Exact Mass474.01
IUPAC Name2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1Br
InChIInChI=1S/C22H17BrClFN2O2/c1-14-10-16(7-8-17(14)23)26-12-15-6-9-21(18(24)11-15)29-13-22(28)27-20-5-3-2-4-19(20)25/h2-12H,13H2,1H3,(H,27,28)/b26-12+
InChIKeyUFCWAHGSBYGQJW-RPPGKUMJSA-N
XLogP6.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.75
LogP ≤ 56.32
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-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126385014
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126384549
2-[2-chloro-4-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126383011
2-[2-chloro-4-[[4-(3-chlorophenoxy)phenyl]iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126392833
2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 4025119
4-bromo-N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126386661
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
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide (CID 126387884) is 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide is Cc1cc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1Br.
What is the InChIKey of 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is UFCWAHGSBYGQJW-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H17BrClFN2O2/c1-14-10-16(7-8-17(14)23)26-12-15-6-9-21(18(24)11-15)29-13-22(28)27-20-5-3-2-4-19(20)25/h2-12H,13H2,1H3,(H,27,28)/b26-12+.
What are the key properties of 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide?
2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 475.75 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126387884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).