2-(4-bromo-3-chloroanilino)cyclopentan-1-ol

C11H13BrClNO — CID 107619823

IUPAC2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H13BrClNO/c12-8-5-4-7(6-9(8)13)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2
InChIKeyJRABTXPKIDVRSZ-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.43
Rot. Bonds2

About 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol

2-(4-bromo-3-chloroanilino)cyclopentan-1-ol (PubChem CID 107619823) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
PubChem CID107619823
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H13BrClNO/c12-8-5-4-7(6-9(8)13)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2
InChIKeyJRABTXPKIDVRSZ-UHFFFAOYSA-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

4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60883762
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol?
The IUPAC name of 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol (CID 107619823) is 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol is OC1CCCC1Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol?
The InChIKey is JRABTXPKIDVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-8-5-4-7(6-9(8)13)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2.
What are the key properties of 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol?
2-(4-bromo-3-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 2-(4-bromo-3-chloroanilino)cyclopentan-1-ol is sourced from PubChem (CID 107619823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).