3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one

C12H10BrClO2 — CID 79639902

IUPAC3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C12H10BrClO2/c13-11-4-2-8(14)6-10(11)12(16)7-1-3-9(15)5-7/h2,4,6-7H,1,3,5H2
InChIKeyPOLCUVOGJVPCFX-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.65
Rot. Bonds2

About 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one

3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one (PubChem CID 79639902) has the molecular formula C12H10BrClO2 and a molecular weight of 301.57 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one
PubChem CID79639902
Molecular FormulaC12H10BrClO2
Molecular Weight301.57 g/mol
Exact Mass299.96
IUPAC Name3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C12H10BrClO2/c13-11-4-2-8(14)6-10(11)12(16)7-1-3-9(15)5-7/h2,4,6-7H,1,3,5H2
InChIKeyPOLCUVOGJVPCFX-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-chlorobenzoyl)cyclohexan-1-one
CID 79625100
(2-bromo-5-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026831
3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435
3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one
CID 114454004
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
3-(3,5-dichlorobenzoyl)cyclohexan-1-one
CID 79626074
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one (CID 79639902) is 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one is O=C1CCC(C(=O)c2cc(Cl)ccc2Br)C1.
What is the InChIKey of 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one?
The InChIKey is POLCUVOGJVPCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO2/c13-11-4-2-8(14)6-10(11)12(16)7-1-3-9(15)5-7/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one?
3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one has a molecular weight of 301.57 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one is sourced from PubChem (CID 79639902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).