(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide

C13H14BrClF2N2O2 — CID 81119285

IUPAC(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)[C@@H]1CCCNC1
InChIInChI=1S/C13H14BrClF2N2O2/c14-9-4-8(15)5-10(11(9)21-13(16)17)19-12(20)7-2-1-3-18-6-7/h4-5,7,13,18H,1-3,6H2,(H,19,20)/t7-/m1/s1
InChIKeyOFSBGGKDVPOCAZ-SSDOTTSWSA-N
MW383.62 g/mol
LogP3.64
Rot. Bonds4

About (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide

(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 81119285) has the molecular formula C13H14BrClF2N2O2 and a molecular weight of 383.62 g/mol. Its IUPAC name is (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID81119285
Molecular FormulaC13H14BrClF2N2O2
Molecular Weight383.62 g/mol
Exact Mass381.99
IUPAC Name(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)[C@@H]1CCCNC1
InChIInChI=1S/C13H14BrClF2N2O2/c14-9-4-8(15)5-10(11(9)21-13(16)17)19-12(20)7-2-1-3-18-6-7/h4-5,7,13,18H,1-3,6H2,(H,19,20)/t7-/m1/s1
InChIKeyOFSBGGKDVPOCAZ-SSDOTTSWSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 60866382

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide (CID 81119285) is (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is OFSBGGKDVPOCAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14BrClF2N2O2/c14-9-4-8(15)5-10(11(9)21-13(16)17)19-12(20)7-2-1-3-18-6-7/h4-5,7,13,18H,1-3,6H2,(H,19,20)/t7-/m1/s1.
What are the key properties of (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 383.62 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).