2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C20H20Br2N2O3 — CID 126384851

IUPAC2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c(Br)c1
InChIInChI=1S/C20H20Br2N2O3/c1-14-2-4-18(16(21)10-14)23-12-15-3-5-19(17(22)11-15)27-13-20(25)24-6-8-26-9-7-24/h2-5,10-12H,6-9,13H2,1H3/b23-12+
InChIKeyAWSCQVQSYQJZSV-FSJBWODESA-N
MW496.20 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 126384851) has the molecular formula C20H20Br2N2O3 and a molecular weight of 496.20 g/mol. Its IUPAC name is 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID126384851
Molecular FormulaC20H20Br2N2O3
Molecular Weight496.20 g/mol
Exact Mass493.98
IUPAC Name2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c(Br)c1
InChIInChI=1S/C20H20Br2N2O3/c1-14-2-4-18(16(21)10-14)23-12-15-3-5-19(17(22)11-15)27-13-20(25)24-6-8-26-9-7-24/h2-5,10-12H,6-9,13H2,1H3/b23-12+
InChIKeyAWSCQVQSYQJZSV-FSJBWODESA-N
XLogP4.51
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.20
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-4-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126383418
2-[2-bromo-4-[(4-tert-butylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126375425
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126382780
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-bromophenoxy]-1-morpholin-4-ylethanone
CID 126379591
methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
CID 1276387
2-[2-methoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 9059552
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
(5E)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126388760

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 126384851) is 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is Cc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is AWSCQVQSYQJZSV-FSJBWODESA-N. The full InChI is InChI=1S/C20H20Br2N2O3/c1-14-2-4-18(16(21)10-14)23-12-15-3-5-19(17(22)11-15)27-13-20(25)24-6-8-26-9-7-24/h2-5,10-12H,6-9,13H2,1H3/b23-12+.
What are the key properties of 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 496.20 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 126384851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).