trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol

C11H13BrClNO — CID 102733775

IUPACtrans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrClNO/c12-8-5-4-7(13)6-10(8)14-9-2-1-3-11(9)15/h4-6,9,11,14-15H,1-3H2/t9-,11-/m0/s1
InChIKeyPAIOCGNHDCMDFG-ONGXEEELSA-N
MW290.59 g/mol
LogP3.43
Rot. Bonds2

About trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol (PubChem CID 102733775) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
PubChem CID102733775
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Nametrans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrClNO/c12-8-5-4-7(13)6-10(8)14-9-2-1-3-11(9)15/h4-6,9,11,14-15H,1-3H2/t9-,11-/m0/s1
InChIKeyPAIOCGNHDCMDFG-ONGXEEELSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol (CID 102733775) is trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1Br.
What is the InChIKey of trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol?
The InChIKey is PAIOCGNHDCMDFG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-8-5-4-7(13)6-10(8)14-9-2-1-3-11(9)15/h4-6,9,11,14-15H,1-3H2/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol has a molecular weight of 290.59 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).