2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one

C24H22BrNO — CID 57056305

IUPAC2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one
SMILESCCc1c(Br)cccc1C1C(=O)C(c2cccc3ccccc23)C/C1=N\C
InChIInChI=1S/C24H22BrNO/c1-3-16-19(12-7-13-21(16)25)23-22(26-2)14-20(24(23)27)18-11-6-9-15-8-4-5-10-17(15)18/h4-13,20,23H,3,14H2,1-2H3/b26-22+
InChIKeyLLWRVIZOHXWYPN-XTCLZLMSSA-N
MW420.35 g/mol
LogP6.08
Rot. Bonds3

About 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one

2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one (PubChem CID 57056305) has the molecular formula C24H22BrNO and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one
PubChem CID57056305
Molecular FormulaC24H22BrNO
Molecular Weight420.35 g/mol
Exact Mass419.09
IUPAC Name2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one
SMILESCCc1c(Br)cccc1C1C(=O)C(c2cccc3ccccc23)C/C1=N\C
InChIInChI=1S/C24H22BrNO/c1-3-16-19(12-7-13-21(16)25)23-22(26-2)14-20(24(23)27)18-11-6-9-15-8-4-5-10-17(15)18/h4-13,20,23H,3,14H2,1-2H3/b26-22+
InChIKeyLLWRVIZOHXWYPN-XTCLZLMSSA-N
XLogP6.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-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

1-bromonaphthalene;methanamine
CID 143041720
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
3-naphthalen-1-yloxetan-2-one
CID 154509652
methyl 2-[[4-naphthalen-1-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]butanoate
CID 57088484
5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one
CID 71411089
2-(2-bromophenyl)-4-(ethylsulfonylmethyl)cyclopentane-1,3-dione
CID 20532870
(4R)-6-ethylsulfanyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 6935903
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
3-(ethylamino)-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153157
5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
CID 66107850
(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 163151559
ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate
CID 10267389

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one?
The IUPAC name of 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one (CID 57056305) is 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one.
What is the SMILES notation for 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one?
The canonical SMILES for 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one is CCc1c(Br)cccc1C1C(=O)C(c2cccc3ccccc23)C/C1=N\C.
What is the InChIKey of 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one?
The InChIKey is LLWRVIZOHXWYPN-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H22BrNO/c1-3-16-19(12-7-13-21(16)25)23-22(26-2)14-20(24(23)27)18-11-6-9-15-8-4-5-10-17(15)18/h4-13,20,23H,3,14H2,1-2H3/b26-22+.
What are the key properties of 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one?
2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one has a molecular weight of 420.35 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethylphenyl)-3-methylimino-5-naphthalen-1-ylcyclopentan-1-one is sourced from PubChem (CID 57056305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).