[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone

C24H16BrNO2 — CID 4212429

IUPAC[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H16BrNO2/c25-18-11-12-22(20(14-18)24(28)17-7-2-1-3-8-17)26-15-21-19-9-5-4-6-16(19)10-13-23(21)27/h1-15,27H/b26-15+
InChIKeyRYCMKHNJKYPENL-CVKSISIWSA-N
MW430.30 g/mol
LogP6.29
Rot. Bonds4

About [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone

[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 4212429) has the molecular formula C24H16BrNO2 and a molecular weight of 430.30 g/mol. Its IUPAC name is [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
PubChem CID4212429
Molecular FormulaC24H16BrNO2
Molecular Weight430.30 g/mol
Exact Mass429.04
IUPAC Name[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H16BrNO2/c25-18-11-12-22(20(14-18)24(28)17-7-2-1-3-8-17)26-15-21-19-9-5-4-6-16(19)10-13-23(21)27/h1-15,27H/b26-15+
InChIKeyRYCMKHNJKYPENL-CVKSISIWSA-N
XLogP6.29
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone 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

1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
CID 163678536
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
[1-[(4-bromo-2-methylphenyl)iminomethyl]naphthalen-2-yl] acetate
CID 538417
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
CID 2827646
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
4-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 135675629
(2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 136907701

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone (CID 4212429) is [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is RYCMKHNJKYPENL-CVKSISIWSA-N. The full InChI is InChI=1S/C24H16BrNO2/c25-18-11-12-22(20(14-18)24(28)17-7-2-1-3-8-17)26-15-21-19-9-5-4-6-16(19)10-13-23(21)27/h1-15,27H/b26-15+.
What are the key properties of [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 430.30 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 4212429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).