4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide

C12H13BrF2N2O — CID 103866610

IUPAC4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H13BrF2N2O/c13-7-4-9(14)11(10(15)5-7)12(18)17-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6H2,(H,17,18)/t8-/m0/s1
InChIKeyDPKJWBYAYBGDPV-QMMMGPOBSA-N
MW319.15 g/mol
LogP2.21
Rot. Bonds2

About 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide

4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 103866610) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID103866610
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC Name4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H13BrF2N2O/c13-7-4-9(14)11(10(15)5-7)12(18)17-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6H2,(H,17,18)/t8-/m0/s1
InChIKeyDPKJWBYAYBGDPV-QMMMGPOBSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 104982388
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
CID 65468689
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 62380250
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
4-bromo-2,6-difluoro-N-(1-oxothian-4-yl)benzamide
CID 104580801

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide (CID 103866610) is 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide is O=C(N[C@H]1CCCNC1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is DPKJWBYAYBGDPV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c13-7-4-9(14)11(10(15)5-7)12(18)17-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6H2,(H,17,18)/t8-/m0/s1.
What are the key properties of 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide?
4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 319.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 103866610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).