2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide

C22H19BrN2O3 — CID 94832081

IUPAC2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-27-21-5-3-2-4-20(21)25-22(26)15-28-19-12-6-16(7-13-19)14-24-18-10-8-17(23)9-11-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyNISHFCQLAKMHSL-ZVHZXABRSA-N
MW439.31 g/mol
LogP5.23
Rot. Bonds7

About 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide

2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 94832081) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID94832081
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-27-21-5-3-2-4-20(21)25-22(26)15-28-19-12-6-16(7-13-19)14-24-18-10-8-17(23)9-11-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyNISHFCQLAKMHSL-ZVHZXABRSA-N
XLogP5.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.23
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

ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate
CID 94832125
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832293
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
N'-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 94848768
N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126023867
N-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736
N-benzyl-N'-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 94832081) is 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NISHFCQLAKMHSL-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-27-21-5-3-2-4-20(21)25-22(26)15-28-19-12-6-16(7-13-19)14-24-18-10-8-17(23)9-11-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+.
What are the key properties of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 439.31 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 94832081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).