2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol

C17H11BrClNO — CID 135953557

IUPAC2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol
SMILESOc1c(/C=N/c2ccc(Br)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C17H11BrClNO/c18-15-8-7-13(9-16(15)19)20-10-12-6-5-11-3-1-2-4-14(11)17(12)21/h1-10,21H/b20-10+
InChIKeyWFZAUSVKPJSZIL-KEBDBYFISA-N
MW360.64 g/mol
LogP5.71
Rot. Bonds2

About 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol

2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol (PubChem CID 135953557) has the molecular formula C17H11BrClNO and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol
PubChem CID135953557
Molecular FormulaC17H11BrClNO
Molecular Weight360.64 g/mol
Exact Mass358.97
IUPAC Name2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol
SMILESOc1c(/C=N/c2ccc(Br)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C17H11BrClNO/c18-15-8-7-13(9-16(15)19)20-10-12-6-5-11-3-1-2-4-14(11)17(12)21/h1-10,21H/b20-10+
InChIKeyWFZAUSVKPJSZIL-KEBDBYFISA-N
XLogP5.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol 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

N-(4-bromo-3-chlorophenyl)-1-naphthalen-1-ylmethanimine
CID 4580179
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
CID 4532078
2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953569
N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
CID 21239979
3-(phenyliminomethyl)phenanthren-4-ol
CID 136826594
3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
CID 628372
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
CID 135885630
N-(4-bromo-3-methylphenyl)-1-naphthalen-1-ylmethanimine
CID 2346219
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
2-[(5,6-dibromo-1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-1-ol
CID 4117995

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol?
The IUPAC name of 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol (CID 135953557) is 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol?
The canonical SMILES for 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol is Oc1c(/C=N/c2ccc(Br)c(Cl)c2)ccc2ccccc12.
What is the InChIKey of 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol?
The InChIKey is WFZAUSVKPJSZIL-KEBDBYFISA-N. The full InChI is InChI=1S/C17H11BrClNO/c18-15-8-7-13(9-16(15)19)20-10-12-6-5-11-3-1-2-4-14(11)17(12)21/h1-10,21H/b20-10+.
What are the key properties of 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol?
2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol has a molecular weight of 360.64 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 135953557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).