1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one

C22H15Br2NO2 — CID 3562174

IUPAC1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(Br)cc1)c1cccc(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C22H15Br2NO2/c23-18-7-4-15(5-8-18)6-10-21(26)16-2-1-3-20(13-16)25-14-17-12-19(24)9-11-22(17)27/h1-14,27H/b10-6?,25-14+
InChIKeyIZUOOAVDKXTSMI-PKMNVGINSA-N
MW485.18 g/mol
LogP6.56
Rot. Bonds5

About 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one

1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one (PubChem CID 3562174) has the molecular formula C22H15Br2NO2 and a molecular weight of 485.18 g/mol. Its IUPAC name is 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
PubChem CID3562174
Molecular FormulaC22H15Br2NO2
Molecular Weight485.18 g/mol
Exact Mass482.95
IUPAC Name1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(Br)cc1)c1cccc(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C22H15Br2NO2/c23-18-7-4-15(5-8-18)6-10-21(26)16-2-1-3-20(13-16)25-14-17-12-19(24)9-11-22(17)27/h1-14,27H/b10-6?,25-14+
InChIKeyIZUOOAVDKXTSMI-PKMNVGINSA-N
XLogP6.56
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.18
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 3846238
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
CID 135657383
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one
CID 122677119
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657402
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
(E)-3-(3-bromo-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 24827798
1,3-bis(3-azidophenyl)prop-2-en-1-one
CID 54371309
3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide
CID 135810325

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one?
The IUPAC name of 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one (CID 3562174) is 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one.
What is the SMILES notation for 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one?
The canonical SMILES for 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one is O=C(C=Cc1ccc(Br)cc1)c1cccc(/N=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one?
The InChIKey is IZUOOAVDKXTSMI-PKMNVGINSA-N. The full InChI is InChI=1S/C22H15Br2NO2/c23-18-7-4-15(5-8-18)6-10-21(26)16-2-1-3-20(13-16)25-14-17-12-19(24)9-11-22(17)27/h1-14,27H/b10-6?,25-14+.
What are the key properties of 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one?
1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one has a molecular weight of 485.18 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one is sourced from PubChem (CID 3562174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).