(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone

C18H15BrF3NO2 — CID 112836700

IUPAC(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H15BrF3NO2/c19-15-3-1-11(20)9-14(15)18(24)23-7-5-13(6-8-23)25-17-4-2-12(21)10-16(17)22/h1-4,9-10,13H,5-8H2
InChIKeyZSUXVQLXTXBSNG-UHFFFAOYSA-N
MW414.22 g/mol
LogP4.55
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone

(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone (PubChem CID 112836700) has the molecular formula C18H15BrF3NO2 and a molecular weight of 414.22 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
PubChem CID112836700
Molecular FormulaC18H15BrF3NO2
Molecular Weight414.22 g/mol
Exact Mass413.02
IUPAC Name(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H15BrF3NO2/c19-15-3-1-11(20)9-14(15)18(24)23-7-5-13(6-8-23)25-17-4-2-12(21)10-16(17)22/h1-4,9-10,13H,5-8H2
InChIKeyZSUXVQLXTXBSNG-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843506
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone (CID 112836700) is (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone is O=C(c1cc(F)ccc1Br)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is ZSUXVQLXTXBSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3NO2/c19-15-3-1-11(20)9-14(15)18(24)23-7-5-13(6-8-23)25-17-4-2-12(21)10-16(17)22/h1-4,9-10,13H,5-8H2.
What are the key properties of (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 414.22 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 112836700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).