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

C26H25BrN2O5 — CID 126382780

IUPAC2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1ccccc1Oc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1
InChIInChI=1S/C26H25BrN2O5/c1-31-24-4-2-3-5-25(24)34-21-9-7-20(8-10-21)28-17-19-6-11-23(22(27)16-19)33-18-26(30)29-12-14-32-15-13-29/h2-11,16-17H,12-15,18H2,1H3/b28-17+
InChIKeyNFNQMPMQQTWMSG-OGLMXYFKSA-N
MW525.40 g/mol
LogP5.24
Rot. Bonds8

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

2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 126382780) has the molecular formula C26H25BrN2O5 and a molecular weight of 525.40 g/mol. Its IUPAC name is 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID126382780
Molecular FormulaC26H25BrN2O5
Molecular Weight525.40 g/mol
Exact Mass524.09
IUPAC Name2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1ccccc1Oc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1
InChIInChI=1S/C26H25BrN2O5/c1-31-24-4-2-3-5-25(24)34-21-9-7-20(8-10-21)28-17-19-6-11-23(22(27)16-19)33-18-26(30)29-12-14-32-15-13-29/h2-11,16-17H,12-15,18H2,1H3/b28-17+
InChIKeyNFNQMPMQQTWMSG-OGLMXYFKSA-N
XLogP5.24
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-4-[(4-tert-butylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126375425
2-[2-bromo-4-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126383418
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-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126384851
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6058236
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126379700
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669
3,5-dibromo-2-hydroxy-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126019355

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 126382780) is 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone is COc1ccccc1Oc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1.
What is the InChIKey of 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is NFNQMPMQQTWMSG-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H25BrN2O5/c1-31-24-4-2-3-5-25(24)34-21-9-7-20(8-10-21)28-17-19-6-11-23(22(27)16-19)33-18-26(30)29-12-14-32-15-13-29/h2-11,16-17H,12-15,18H2,1H3/b28-17+.
What are the key properties of 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 525.40 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 126382780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).