3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide

C12H14BrFN2O — CID 99849634

IUPAC3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCCNC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1
InChIKeyPYVFMKPUHBTOOK-SECBINFHSA-N
MW301.16 g/mol
LogP2.07
Rot. Bonds2

About 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide

3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 99849634) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID99849634
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCCNC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1
InChIKeyPYVFMKPUHBTOOK-SECBINFHSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866610
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-bromo-4-fluorobenzamide
CID 107956016

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide (CID 99849634) is 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide is O=C(N[C@@H]1CCCNC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is PYVFMKPUHBTOOK-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 301.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 99849634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).