naphthalen-2-yl 5-bromo-2-chlorobenzoate

C17H10BrClO2 — CID 7926818

IUPACnaphthalen-2-yl 5-bromo-2-chlorobenzoate
SMILESO=C(Oc1ccc2ccccc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H10BrClO2/c18-13-6-8-16(19)15(10-13)17(20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H
InChIKeyDKNMZKCAVGNLLH-UHFFFAOYSA-N
MW361.62 g/mol
LogP5.47
Rot. Bonds2

About naphthalen-2-yl 5-bromo-2-chlorobenzoate

naphthalen-2-yl 5-bromo-2-chlorobenzoate (PubChem CID 7926818) has the molecular formula C17H10BrClO2 and a molecular weight of 361.62 g/mol. Its IUPAC name is naphthalen-2-yl 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 5-bromo-2-chlorobenzoate
PubChem CID7926818
Molecular FormulaC17H10BrClO2
Molecular Weight361.62 g/mol
Exact Mass359.96
IUPAC Namenaphthalen-2-yl 5-bromo-2-chlorobenzoate
SMILESO=C(Oc1ccc2ccccc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H10BrClO2/c18-13-6-8-16(19)15(10-13)17(20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H
InChIKeyDKNMZKCAVGNLLH-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.62
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl 5-bromo-2-chlorobenzoate 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

naphthalen-1-yl 5-bromo-2-chlorobenzoate
CID 2370407
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356
(4-methoxycarbonylphenyl) 5-bromo-2-chlorobenzoate
CID 7956906
(3-acetamidophenyl) 5-bromo-2-chlorobenzoate
CID 5202414
(3,4-dichlorophenyl) 2-bromobenzoate
CID 532491
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
naphthalen-2-yl 5-chloro-2-methoxybenzoate
CID 5036835
diphenyl 2,5-dichlorobenzene-1,4-dicarboxylate
CID 154094217
anthracen-2-yl carbonochloridate
CID 88694381
(4-methoxyphenyl) 2,5-dibromobenzoate
CID 990766
(2-oxochromen-7-yl) 2-chlorobenzoate
CID 964640

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 5-bromo-2-chlorobenzoate?
The IUPAC name of naphthalen-2-yl 5-bromo-2-chlorobenzoate (CID 7926818) is naphthalen-2-yl 5-bromo-2-chlorobenzoate.
What is the SMILES notation for naphthalen-2-yl 5-bromo-2-chlorobenzoate?
The canonical SMILES for naphthalen-2-yl 5-bromo-2-chlorobenzoate is O=C(Oc1ccc2ccccc2c1)c1cc(Br)ccc1Cl.
What is the InChIKey of naphthalen-2-yl 5-bromo-2-chlorobenzoate?
The InChIKey is DKNMZKCAVGNLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClO2/c18-13-6-8-16(19)15(10-13)17(20)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H.
What are the key properties of naphthalen-2-yl 5-bromo-2-chlorobenzoate?
naphthalen-2-yl 5-bromo-2-chlorobenzoate has a molecular weight of 361.62 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 7926818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).