[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

C20H13BrClNO2 — CID 3883823

IUPAC[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C20H13BrClNO2/c21-15-6-8-18(23-12-14-10-16(22)7-9-19(14)24)17(11-15)20(25)13-4-2-1-3-5-13/h1-12,24H/b23-12+
InChIKeyNEFDUONYNNDZLW-FSJBWODESA-N
MW414.69 g/mol
LogP5.79
Rot. Bonds4

About [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 3883823) has the molecular formula C20H13BrClNO2 and a molecular weight of 414.69 g/mol. Its IUPAC name is [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID3883823
Molecular FormulaC20H13BrClNO2
Molecular Weight414.69 g/mol
Exact Mass412.98
IUPAC Name[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C20H13BrClNO2/c21-15-6-8-18(23-12-14-10-16(22)7-9-19(14)24)17(11-15)20(25)13-4-2-1-3-5-13/h1-12,24H/b23-12+
InChIKeyNEFDUONYNNDZLW-FSJBWODESA-N
XLogP5.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.69
LogP ≤ 55.79
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

[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
CID 4212429
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 23766024
2-[(2-benzoyl-4-chlorophenyl)iminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135957505
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 135968952
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
CID 5200219
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (CID 3883823) is [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is NEFDUONYNNDZLW-FSJBWODESA-N. The full InChI is InChI=1S/C20H13BrClNO2/c21-15-6-8-18(23-12-14-10-16(22)7-9-19(14)24)17(11-15)20(25)13-4-2-1-3-5-13/h1-12,24H/b23-12+.
What are the key properties of [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 414.69 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 3883823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).