[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone

C21H18Cl2O2 — CID 11176237

IUPAC[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2O2/c22-14-8-4-12(5-9-14)20(24)18-16-2-1-3-17(16)19(18)21(25)13-6-10-15(23)11-7-13/h4-11,16-19H,1-3H2/t16-,17+,18+,19-
InChIKeyDDUAUMIQSGHAQM-SEXKYXSUSA-N
MW373.28 g/mol
LogP5.72
Rot. Bonds4

About [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone

[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone (PubChem CID 11176237) has the molecular formula C21H18Cl2O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
PubChem CID11176237
Molecular FormulaC21H18Cl2O2
Molecular Weight373.28 g/mol
Exact Mass372.07
IUPAC Name[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2O2/c22-14-8-4-12(5-9-14)20(24)18-16-2-1-3-17(16)19(18)21(25)13-6-10-15(23)11-7-13/h4-11,16-19H,1-3H2/t16-,17+,18+,19-
InChIKeyDDUAUMIQSGHAQM-SEXKYXSUSA-N
XLogP5.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone with MolForge

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Related Compounds

2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
5-(4-chlorobenzoyl)oxolan-2-one
CID 10263058
6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
CID 114971785
(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone
CID 14675569
(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125473639
(3-aminocyclobutyl)-(4-chlorophenyl)methanone
CID 116917659
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808619
(4-chlorophenyl)-(2,2-dimethyl-1-oxaspiro[2.5]octan-6-yl)methanone
CID 138966693

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone?
The IUPAC name of [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone (CID 11176237) is [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone?
The InChIKey is DDUAUMIQSGHAQM-SEXKYXSUSA-N. The full InChI is InChI=1S/C21H18Cl2O2/c22-14-8-4-12(5-9-14)20(24)18-16-2-1-3-17(16)19(18)21(25)13-6-10-15(23)11-7-13/h4-11,16-19H,1-3H2/t16-,17+,18+,19-.
What are the key properties of [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone?
[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone has a molecular weight of 373.28 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 11176237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).